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

Systemtic Name: 2-[(2-docosanoyloxy-3-tricosanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-docosanoyloxy-3-tricosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxodocosoxy)-3-(1-oxotricosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-docosanoyloxy-3-tricosanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-docosanoyloxy-3-tricosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C53H107NO8P+ MolecularWeight: 917.392341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H106NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54(3,4)5)62-53(56)46-44-42-40-38-36-34-32-30-27-25-23-21-19-17-15-13-11-9-7-2/h51H,6-50H2,1-5H3/p+1