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

Systemtic Name: (3-hexadecanoyloxy-2-icosanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (3-hexadecanoyloxy-2-icosanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1-oxoeicosoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (3-hexadecanoyloxy-2-icosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-eicosanoyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C44H88NO8P MolecularWeight: 790.145181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3