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

Systemtic Name: (2-hexacosanoyloxy-3-tridecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-hexacosanoyloxy-3-tridecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1-oxohexacosoxy)-3-(1-oxotridecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-hexacosanoyloxy-3-tridecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-hexacosanoyloxy-3-tridecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C47H94NO8P MolecularWeight: 832.224921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H94NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3