NP-MRD: Showing NP-Card for n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid (NP0235872)

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Record Information

Version

2.0

Created at

2022-09-06 18:37:32 UTC

Updated at

2022-09-06 18:37:32 UTC

NP-MRD ID

NP0235872

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid

Description

N-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). Based on a literature review very few articles have been published on N-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 45  0  0  0  0  0  0  0  0999 V2000
    4.9443   -0.7717   -3.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591    0.2447   -3.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2313   -0.0093   -1.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    1.0128   -1.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747    0.6905   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4772    1.6659    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846    1.6568   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4571    0.3911   -0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1261   -0.0447    0.4836 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9912   -0.3740    1.7924 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0455    1.0537    0.8655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0159    1.6704    1.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9483    2.7690    2.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0728    1.3309    2.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0351   -1.2300    0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3262   -0.8266   -0.8453 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -1.4832    1.9508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446   -2.5157   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8308   -3.6808   -0.1224 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -2.5761   -1.7026 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5178   -3.0437    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472   -3.4618    1.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578   -3.9323    2.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9285   -4.3125    3.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -4.8332    4.8391 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9425   -0.2972   -3.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -1.3496   -4.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0339   -1.5108   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3050    1.2606   -3.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799    0.1692   -3.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0026    0.0899   -0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7598   -1.0059   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996    2.0148   -1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    0.9818   -2.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156   -0.3612    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916    0.8619    0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988    1.6946    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9677    2.6872    0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2788    2.0154   -1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3612    2.4826   -0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2632    0.6006   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318   -0.3578   -1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390    3.7098    2.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7135    2.9654    1.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3803    2.5669    3.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    1.3919    3.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
  9 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  3  0
 22 23  1  0
 23 24  3  0
 24 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  6 38  1  0
  7 39  1  0
  7 40  1  0
  8 41  1  0
  8 42  1  0
 13 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
M  END


  Mrv1652309062220372D          

 25 24  0  0  0  0            999 V2000
    3.7125    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.9684    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    3.6829    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5868    2.8579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1743    3.5724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    4.6993    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3177    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0322    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467    5.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4612    6.0474    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  3  0  0  0  0
 22 23  1  0  0  0  0
 23 24  3  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0235872

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCC(Cl)(N=C(C)O)C(Cl)(Cl)C(Cl)(Cl)C#CC#CCl

> <INCHI_IDENTIFIER>
InChI=1S/C17H21Cl6NO/c1-3-4-5-6-7-8-12-16(21,24-14(2)25)17(22,23)15(19,20)11-9-10-13-18/h3-8,12H2,1-2H3,(H,24,25)

> <INCHI_KEY>
MNFGXANYVVWTPC-UHFFFAOYSA-N

> <FORMULA>
C17H21Cl6NO

> <MOLECULAR_WEIGHT>
468.06

> <EXACT_MASS>
464.9754305

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
45.177354014341844

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid

> <JCHEM_LOGP>
8.4965

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.362224402073881

> <JCHEM_PKA_STRONGEST_BASIC>
-1.638371066706012

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
111.2553

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       6.930   2.461   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.266   4.771   0.000  0.00  0.00           C+0
HETATM   10 Cl   UNK     0      17.599   5.541   0.000  0.00  0.00          Cl+0
HETATM   11  N   UNK     0      17.036   3.437   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      16.266   2.104   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.726   2.104   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      17.036   0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      15.496   6.105   0.000  0.00  0.00           C+0
HETATM   16 Cl   UNK     0      16.829   6.875   0.000  0.00  0.00          Cl+0
HETATM   17 Cl   UNK     0      14.162   5.335   0.000  0.00  0.00          Cl+0
HETATM   18  C   UNK     0      14.726   7.438   0.000  0.00  0.00           C+0
HETATM   19 Cl   UNK     0      13.392   6.668   0.000  0.00  0.00          Cl+0
HETATM   20 Cl   UNK     0      13.956   8.772   0.000  0.00  0.00          Cl+0
HETATM   21  C   UNK     0      16.059   8.208   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.393   8.978   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.727   9.748   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.060  10.518   0.000  0.00  0.00           C+0
HETATM   25 Cl   UNK     0      21.394  11.288   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   15                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    9   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

View in JSmol

Synonyms

Value	Source
N-(1,5,5,6,6,7-Hexachloropentadeca-1,3-diyn-7-yl)ethanimidate	Generator

Chemical Formula

C₁₇H₂₁Cl₆NO

Average Mass

468.0600 Da

Monoisotopic Mass

464.97543 Da

IUPAC Name

N-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid

Traditional Name

N-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCC(Cl)(N=C(C)O)C(Cl)(Cl)C(Cl)(Cl)C#CC#CCl

InChI Identifier

InChI=1S/C17H21Cl6NO/c1-3-4-5-6-7-8-12-16(21,24-14(2)25)17(22,23)15(19,20)11-9-10-13-18/h3-8,12H2,1-2H3,(H,24,25)

InChI Key

MNFGXANYVVWTPC-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboximidic acids and derivatives

Sub Class

Carboximidic acids

Direct Parent

Carboximidic acids

Alternative Parents

Substituents

Haloacetylene or derivatives
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Alkyl halide
Alkyl chloride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.5	ChemAxon
pKa (Strongest Acidic)	4.36	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	32.59 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	111.26 m³·mol⁻¹	ChemAxon
Polarizability	45.18 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163193897

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid (NP0235872)

MOL for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

3D MOL for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

3D SDF for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

3D-SDF for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

PDB for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

3D PDB for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

SMILES for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

INCHI for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

Structure for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)

3D Structure for NP0235872 (n-(1,5,5,6,6,7-hexachloropentadeca-1,3-diyn-7-yl)ethanimidic acid)