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

Systemtic Name: trimethyl-[2-[[(2R)-2-octadecanoyloxy-3-tricosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(2R)-2-octadecanoyloxy-3-tricosanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-(1-oxooctadecoxy)-3-(1-oxotricosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-2-octadecanoyloxy-3-tricosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(2R)-2-stearoyloxy-3-tricosanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C49H99NO8P+ MolecularWeight: 861.286021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3,4)5)58-49(52)42-40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3/p+1/t47-/m1/s1