[3-hexadecanoyloxy-2-(4-oxidanylidenebutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-(4-oxidanylidenebutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(4-oxobutanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1,4-dioxobutoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-(4-oxobutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(4-ketobutanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H54NO9P MolecularWeight: 579.703421

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H54NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27(31)35-24-26(38-28(32)20-18-22-30)25-37-39(33,34)36-23-21-29(2,3)4/h22,26H,5-21,23-25H2,1-4H3