2-butanoyloxyicosyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2-butanoyloxyicosyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2-butanoyloxyicosyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2-(1-oxobutoxy)eicosyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2-butanoyloxyicosyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2-butyryloxyeicosyl 2-(trimethylammonio)ethyl phosphate Formula: C29H60NO6P MolecularWeight: 549.763561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(36-29(31)23-7-2)27-35-37(32,33)34-26-25-30(3,4)5/h28H,6-27H2,1-5H3