[2-[(E)-docos-13-enoyl]oxy-3-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[(E)-docos-13-enoyl]oxy-3-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[(E)-docos-13-enoyl]oxy-3-hydroxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-hydroxy-2-[(E)-1-oxodocos-13-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[(E)-docos-13-enoyl]oxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[(E)-docos-13-enoyl]oxy-3-hydroxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C30H60NO7P MolecularWeight: 577.773661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C30H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)38-29(27-32)28-37-39(34,35)36-26-25-31(2,3)4/h12-13,29,32H,5-11,14-28H2,1-4H3/b13-12+