trimethyl-[2-[oxidanyl-(2-pentacosanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[oxidanyl-(2-pentacosanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(2-pentacosanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopentacosoxy)-3-(1-oxotricosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(2-pentacosanoyloxy-3-tricosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-pentacosanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C56H113NO8P+ MolecularWeight: 959.472081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C56H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-36-34-32-30-27-25-23-21-19-17-15-13-11-9-7-2/h54H,6-53H2,1-5H3/p+1