[3-octadecanoyloxy-2-[(E)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecanoyloxy-2-[(E)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-octadecanoyloxy-2-[(E)-octadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[(E)-octadec-9-enoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecanoyloxy-2-[(E)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[(E)-octadec-9-enoxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H88NO7P MolecularWeight: 774.145781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,43H,6-19,21,23-42H2,1-5H3/b22-20+