[1-(1-octadecanoyloxypropan-2-yloxy)-1-oxidanylidene-hexadecan-7-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-(1-octadecanoyloxypropan-2-yloxy)-1-oxidanylidene-hexadecan-7-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 1-[6-(1-methyl-2-octadecanoyloxy-ethoxy)-6-oxo-hexyl]decyl 2-(trimethylammonio)ethyl phosphate CAS Name: [1-oxo-1-[1-(1-oxooctadecoxy)propan-2-yloxy]hexadecan-7-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(1-octadecanoyloxypropan-2-yloxy)-1-oxohexadecan-7-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 1-[6-keto-6-(1-methyl-2-stearoyloxy-ethoxy)hexyl]decyl 2-(trimethylammonio)ethyl phosphate Formula: C42H84NO8P MolecularWeight: 762.092021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCC(CCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCC(CCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C42H84NO8P/c1-7-9-11-13-15-16-17-18-19-20-21-22-24-26-30-34-41(44)48-38-39(3)50-42(45)35-31-27-29-33-40(32-28-25-23-14-12-10-8-2)51-52(46,47)49-37-36-43(4,5)6/h39-40H,7-38H2,1-6H3