[3-hexadecanoyloxy-2-(12-oxidanyldodecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-(12-oxidanyldodecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(12-hydroxydodecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(12-hydroxy-1-oxododecoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-(12-hydroxydodecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(12-hydroxydodecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C36H72NO9P MolecularWeight: 693.931941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H72NO9P/c1-5-6-7-8-9-10-11-12-13-15-18-21-24-27-35(39)43-32-34(33-45-47(41,42)44-31-29-37(2,3)4)46-36(40)28-25-22-19-16-14-17-20-23-26-30-38/h34,38H,5-33H2,1-4H3