Mrv2104 05262316052D 10 9 0 0 0 0 999 V2000 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 10 6 1 0 0 0 0 M END > NP0338037 > NP-MRD > CSC(=O)C(C)OC(C)=O > InChI=1/C6H10O3S/c1-4(6(8)10-3)9-5(2)7/h4H,1-3H3 > BYXWIZRQYXPTSL-UHFFFAOYNA-N > C6H10O3S > 162.2 > 162.035065356 > 2 > 20 > 15.934828123525152 > 1 > 0 > 0 > 0 > 1-(methylsulfanyl)-1-oxopropan-2-yl acetate > 0.8698194553333332 > 0 > 0 > 0 > -6.296198389324842 > 43.370000000000005 > 39.05610000000001 > 4 > 1 > 1-(methylsulfanyl)-1-oxopropan-2-yl acetate > 0 > NP0338037 > 1-(Methylsulfanyl)-1-oxopropan-2-yl acetate $$$$