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

Systemtic Name: 2-[(3-henicosanoyloxy-2-pentacosanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-henicosanoyloxy-2-pentacosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxoheneicosoxy)-2-(1-oxopentacosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-henicosanoyloxy-2-pentacosanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-heneicosanoyloxy-2-pentacosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C54H109NO8P+ MolecularWeight: 931.418921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-25-23-21-19-17-15-13-11-9-7-2/h52H,6-51H2,1-5H3/p+1