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

Systemtic Name: (2-henicosanoyloxy-3-heptadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-henicosanoyloxy-3-heptadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1-oxoheneicosoxy)-3-(1-oxoheptadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-henicosanoyloxy-3-heptadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-heneicosanoyloxy-3-heptadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C46H92NO8P MolecularWeight: 818.198341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3