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

Systemtic Name: trimethyl-[2-[oxidanyl-(3-tricosanoyloxy-2-tridecanoyloxy-propoxy)phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(3-tricosanoyloxy-2-tridecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxotricosoxy)-2-(1-oxotridecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(3-tricosanoyloxy-2-tridecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(3-tricosanoyloxy-2-tridecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H89NO8P+ MolecularWeight: 791.153121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-28-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1