[3-hexadecanoyloxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(4-hydroxy-4-oxo-butanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(4-hydroxy-1,4-dioxobutoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-(4-hydroxy-4-oxobutanoyl)oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(4-hydroxy-4-keto-butanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H54NO10P MolecularWeight: 595.702821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(=O)O

InChI

InChI=1S/C28H54NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(32)36-23-25(39-28(33)20-19-26(30)31)24-38-40(34,35)37-22-21-29(2,3)4/h25H,5-24H2,1-4H3,(H-,30,31,34,35)