(3-heptadecanoyloxy-2-hexacosanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (3-heptadecanoyloxy-2-hexacosanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (3-heptadecanoyloxy-2-hexacosanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxoheptadecoxy)-2-(1-oxohexacosoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (3-heptadecanoyloxy-2-hexacosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (3-heptadecanoyloxy-2-hexacosanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C51H102NO8P MolecularWeight: 888.331241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3