甲基硫酸二油酰基异丙基dioleoylisopropyl dimonium methosulfate
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iupac名称 IUPAC Name :dimethyl-[(2S)-2-[(Z)-octadec-9-enoyl]oxypropyl]-[(2R)-2-[(Z)-octadec-9-enoyl]oxypropyl]azanium;methyl sulfate
INCHI InChI :INCHI InChI=1/C44H84NO4.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(46)48-41(3)39-45(5,6)40-42(4)49-44(47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h21-24,41-42H,7-20,25-40H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21-,24-22-;/t41-,42+;
印地 Std.InChI: INCHI InChI=1S/C44H84NO4.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(46)48-41(3)39-45(5,6)40-42(4)49-44(47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h21-24,41-42H,7-20,25-40H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21-,24-22-;/t41-,42+;
INCHI基 InChIKey :CECUQQKWMXGFQV-KTOGRYPABO
标准奇奇 Std.InChIKey: CECUQQKWMXGFQV-FMDBRRIVSA-M
微笑 SMILES :cccccccc ccccccc CCCCCCCC/c = c C=C\cccccccc ccccccc CCCCCCCC(= o =O)O[C@@H](C[N+](C[C@@H](OC(= o =O)ccccccc CCCCCCC/c = c C=C\cccccccc ccccccc CCCCCCCC)C)(C)C)C.cos COS(= o =O)(= o =O)[o- O-]