[3-[(Z)-icos-13-enoyl]oxy-2-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-[(Z)-icos-13-enoyl]oxy-2-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-hydroxy-3-[(Z)-icos-13-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-hydroxy-3-[(Z)-1-oxoeicos-13-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-hydroxy-3-[(Z)-icos-13-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-[(Z)-eicos-13-enoyl]oxy-2-hydroxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H56NO7P MolecularWeight: 549.720501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O

InChI

InChI=1S/C28H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h10-11,27,30H,5-9,12-26H2,1-4H3/b11-10-