IUPAC Name :dimethyl-[(2S)-2-[(Z)-octadec-9-enoyl]oxypropyl]-[(2R)-2-[(Z)-octadec-9-enoyl]oxypropyl]azanium;methyl sulfate
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+;
Std.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+;
InChIKey :CECUQQKWMXGFQV-KTOGRYPABO
Std.InChIKey: CECUQQKWMXGFQV-FMDBRRIVSA-M
SMILES :CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](C[N+](C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)C)(C)C)C.COS(=O)(=O)[O-]