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

Systemtic Name: trimethyl-[2-[oxidanyl-(3-pentacosanoyloxy-2-tetradecanoyloxy-propoxy)phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(3-pentacosanoyloxy-2-tetradecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxopentacosoxy)-2-(1-oxotetradecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(3-pentacosanoyloxy-2-tetradecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(3-pentacosanoyloxy-2-tetradecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C47H95NO8P+ MolecularWeight: 833.232861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H94NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-29-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/p+1