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

Systemtic Name: (2-henicosanoyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-henicosanoyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1-oxoheneicosoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-henicosanoyloxy-3-hexadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-heneicosanoyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C45H90NO8P MolecularWeight: 804.171761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3