[(6E,9E,12E,15E)-20-(1-octadecanoyloxypropan-2-yloxy)-20-oxidanylidene-icosa-6,9,12,15-tetraen-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(6E,9E,12E,15E)-20-(1-octadecanoyloxypropan-2-yloxy)-20-oxidanylidene-icosa-6,9,12,15-tetraen-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(5E,8E,11E,14E)-1-methyl-19-(1-methyl-2-octadecanoyloxy-ethoxy)-19-oxo-nonadeca-5,8,11,14-tetraenyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(6E,9E,12E,15E)-20-oxo-20-[1-(1-oxooctadecoxy)propan-2-yloxy]eicosa-6,9,12,15-tetraen-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(6E,9E,12E,15E)-20-(1-octadecanoyloxypropan-2-yloxy)-20-oxoicosa-6,9,12,15-tetraen-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(5E,8E,11E,14E)-19-keto-1-methyl-19-(1-methyl-2-stearoyloxy-ethoxy)nonadeca-5,8,11,14-tetraenyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H84NO8P MolecularWeight: 810.134821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCC=CCC=CCC=CCC=CCCCC(C)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(C)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C46H84NO8P/c1-7-8-9-10-11-12-13-14-16-20-23-26-29-32-35-38-45(48)52-42-44(3)54-46(49)39-36-33-30-27-24-21-18-15-17-19-22-25-28-31-34-37-43(2)55-56(50,51)53-41-40-47(4,5)6/h17-19,21,25,27-28,30,43-44H,7-16,20,22-24,26,29,31-42H2,1-6H3/b19-17+,21-18+,28-25+,30-27+