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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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