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

Systemtic Name: (2-butanoyloxy-4-hexadecoxy-butyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-butanoyloxy-4-hexadecoxy-butyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [4-hexadecoxy-2-(1-oxobutoxy)butyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-butanoyloxy-4-hexadecoxybutyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-butyryloxy-4-cetyloxy-butyl) 2-(trimethylammonio)ethyl phosphate Formula: C29H60NO7P MolecularWeight: 565.762961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-25-22-28(37-29(31)21-7-2)27-36-38(32,33)35-26-23-30(3,4)5/h28H,6-27H2,1-5H3