[3-hexadecanoyloxy-2-(9-oxidanyl-9-oxidanylidene-nonanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-(9-oxidanyl-9-oxidanylidene-nonanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(9-hydroxy-9-oxo-nonanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(9-hydroxy-1,9-dioxononoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-(9-hydroxy-9-oxononanoyl)oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(9-hydroxy-9-keto-nonanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H64NO10P MolecularWeight: 665.835721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)