(2-butanoyloxy-4-octadecoxy-butyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (2-butanoyloxy-4-octadecoxy-butyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-butanoyloxy-4-octadecoxy-butyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [4-octadecoxy-2-(1-oxobutoxy)butyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-butanoyloxy-4-octadecoxybutyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-butyryloxy-4-stearyloxy-butyl) 2-(trimethylammonio)ethyl phosphate Formula: C31H64NO7P MolecularWeight: 593.816121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H64NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-36-27-24-30(39-31(33)23-7-2)29-38-40(34,35)37-28-25-32(3,4)5/h30H,6-29H2,1-5H3