[3-[(Z)-hexadec-7-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-[(Z)-hexadec-7-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-[(Z)-hexadec-7-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-[(Z)-1-oxohexadec-7-enoxy]-2-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-[(Z)-hexadec-7-enoyl]oxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-[(Z)-hexadec-7-enoyl]oxy-2-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H82NO8P MolecularWeight: 760.076141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h22,24,40H,6-21,23,25-39H2,1-5H3/b24-22-