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

Systemtic Name: 2-[(3-docosanoyloxy-2-pentacosanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-docosanoyloxy-2-pentacosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxodocosoxy)-2-(1-oxopentacosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-docosanoyloxy-2-pentacosanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-docosanoyloxy-2-pentacosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C55H111NO8P+ MolecularWeight: 945.445501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-30-32-34-36-38-40-42-44-46-48-55(58)64-53(52-63-65(59,60)62-50-49-56(3,4)5)51-61-54(57)47-45-43-41-39-37-35-33-31-29-25-23-21-19-17-15-13-11-9-7-2/h53H,6-52H2,1-5H3/p+1