basic_info |
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Product_Name: | CHLORPHENOCTIUM AMSONATE |
CAS: | 7168-18-5 |
EnglishSynonyms: | CHLORPHENOCTIUM AMSONATE |
pro_mdlNumber: | MFCD00868521 |
pro_acceptors: | 8 |
pro_donors: | 3 |
pro_smile: | CCCCCCCC[N+](C)(C)COc1ccc(cc1Cl)Cl.c1cc(c(cc1N)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)[O-])N |
InChi: | InChI=1S/C17H28Cl2NO.C14H14N2O6S2/c1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q+1;/p-1/b;2-1+ |
InChiKey: | InChIKey=GQCIBLGQUDFKGX-WLHGVMLRSA-M |
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