[3-[(E)-hexadec-1-enoxy]-2-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-[(E)-hexadec-1-enoxy]-2-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-[(E)-hexadec-1-enoxy]-2-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-[(E)-hexadec-1-enoxy]-2-[(E)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-[(E)-hexadec-1-enoxy]-2-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-[(E)-hexadec-1-enoxy]-2-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H82NO7P MolecularWeight: 744.076741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=COCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,34,37,41H,6-19,21,23-33,35-36,38-40H2,1-5H3/b22-20+,37-34+