[3-hexadecanoyloxy-2-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(5-hydroxy-5-oxo-pentanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(5-hydroxy-1,5-dioxopentoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-(5-hydroxy-5-oxopentanoyl)oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(5-hydroxy-5-keto-pentanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C29H56NO10P MolecularWeight: 609.729401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H56NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(33)37-24-26(40-29(34)21-18-19-27(31)32)25-39-41(35,36)38-23-22-30(2,3)4/h26H,5-25H2,1-4H3,(H-,31,32,35,36)