2-[(3-icosanoyloxy-2-tetracosanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-icosanoyloxy-2-tetracosanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-(3-icosanoyloxy-2-tetracosanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxoeicosoxy)-2-(1-oxotetracosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(3-icosanoyloxy-2-tetracosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-eicosanoyloxy-2-tetracosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C52H105NO8P+ MolecularWeight: 903.365761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/p+1