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

Systemtic Name: trimethyl-[2-[oxidanyl-(2-pentacosanoyloxy-3-tetracosanoyloxy-propoxy)phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(2-pentacosanoyloxy-3-tetracosanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopentacosoxy)-3-(1-oxotetracosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(2-pentacosanoyloxy-3-tetracosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-pentacosanoyloxy-3-tetracosanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C57H115NO8P+ MolecularWeight: 973.498661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H114NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-57(60)66-55(54-65-67(61,62)64-52-51-58(3,4)5)53-63-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h55H,6-54H2,1-5H3/p+1