[3-hexadecanoyloxy-2-(8-methoxyoctanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-(8-methoxyoctanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(8-methoxyoctanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(8-methoxy-1-oxooctoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-(8-methoxyoctanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(8-methoxyoctanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H66NO9P MolecularWeight: 651.852201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H66NO9P/c1-6-7-8-9-10-11-12-13-14-15-16-18-21-24-32(35)40-29-31(30-42-44(37,38)41-28-26-34(2,3)4)43-33(36)25-22-19-17-20-23-27-39-5/h31H,6-30H2,1-5H3