(3-hexadecoxy-2-octadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (3-hexadecoxy-2-octadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (3-hexadecoxy-2-octadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [3-hexadecoxy-2-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (3-hexadecoxy-2-octadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (3-cetyloxy-2-stearoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C42H86NO7P MolecularWeight: 748.108501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C42H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3