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

Systemtic Name: (2-hexadecanoyloxy-3-tetracosanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-hexadecanoyloxy-3-tetracosanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1-oxohexadecoxy)-3-(1-oxotetracosoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-hexadecanoyloxy-3-tetracosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-hexadecanoyloxy-3-tetracosanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C48H96NO8P MolecularWeight: 846.251501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-28-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3