(2-icosanoyloxy-1-oxidanyl-4-oxidanylidene-tricosan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (2-icosanoyloxy-1-oxidanyl-4-oxidanylidene-tricosan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(2-hydroxy-1-icosanoyloxy-ethyl)-2-oxo-henicosyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hydroxy-4-oxo-2-(1-oxoeicosoxy)tricosan-3-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (1-hydroxy-2-icosanoyloxy-4-oxotricosan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(1-eicosanoyloxy-2-hydroxy-ethyl)-2-keto-heneicosyl] 2-(trimethylammonio)ethyl phosphate Formula: C48H96NO8P MolecularWeight: 846.251501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-45(51)48(57-58(53,54)55-43-42-49(3,4)5)46(44-50)56-47(52)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h46,48,50H,6-44H2,1-5H3