Mrv1652306242117493D 50 49 0 0 0 0 999 V2000 0.3712 -3.2819 -1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 -2.3614 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -2.7254 0.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 -1.1282 -0.3006 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 -0.2818 0.8643 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3066 -0.3927 1.6380 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4196 0.0793 0.7808 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7756 -0.0694 1.5243 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8588 0.4021 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7532 0.8078 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8516 1.3270 -0.8854 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1021 0.6068 -0.4491 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4820 0.8867 1.2557 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.9987 -1.1140 -0.8482 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 1.1285 0.5220 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4162 1.5055 -0.3081 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8236 1.3200 0.0356 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3139 -0.0623 0.2234 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8191 -0.0997 0.5146 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6367 0.4836 -0.5853 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1105 0.3780 -0.2214 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5594 -1.3166 0.0064 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0737 1.0112 -1.5853 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -2.8729 -2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 -3.4091 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -4.2698 -1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 -0.8842 -1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -0.7268 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 0.1622 2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -1.4756 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 -0.3276 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 1.2052 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 0.4869 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 -1.1521 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6919 1.0784 -1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9519 2.4121 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9393 1.0309 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 1.7593 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6366 1.5728 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 2.6304 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 1.0958 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 1.9701 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 1.7920 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 -0.6403 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8252 -0.5267 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 -1.1455 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9626 0.4979 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4674 0.0364 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 1.5946 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3343 1.0022 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 3 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 1 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 6 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 1 0 0 0 M END > NP0003683 > NP-MRD > [H]N(C(=O)C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C#CC([H])([H])C([H])(Cl)Cl)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(Cl)Cl > InChI=1S/C17H27Cl4NO/c1-14(23)22-15(10-6-2-4-8-12-16(18)19)11-7-3-5-9-13-17(20)21/h15-17H,2-4,6-8,10-13H2,1H3,(H,22,23)/t15-/m0/s1 > XXUGBSMDILTLJG-UHFFFAOYSA-N > C17H27Cl4NO > 403.21 > 401.0846753 > 1 > 50 > 42.83323883732911 > 0 > 1 > 0 > 0 > N-[(8S)-1,1,15,15-tetrachloropentadec-3-yn-8-yl]acetamide > 6.03 > 5.758032894333333 > -5.69 > 0 > 0 > 0 > 14.83717226717156 > -1.2112415969413308 > 29.1 > 103.23779999999996 > 14 > 0 > 8.29e-04 g/l > N-[(8S)-1,1,15,15-tetrachloropentadec-3-yn-8-yl]acetamide > 0 > NP0003683 > 8-Acetamido-1,1,15,15-tetrachloropentadeca-3-yne $$$$