[2-hexadecanoyloxy-3-[(Z)-hexadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-hexadecanoyloxy-3-[(Z)-hexadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-hexadecanoyloxy-3-[(Z)-hexadec-1-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-[(Z)-hexadec-1-enoxy]-2-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-hexadecanoyloxy-3-[(Z)-hexadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-hexadecanoyloxy-3-[(Z)-hexadec-1-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C40H80NO7P MolecularWeight: 718.039461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC=CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO/C=C\CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-