[3-octadecanoyloxy-2-[8-(phenylmethoxycarbonylamino)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecanoyloxy-2-[8-(phenylmethoxycarbonylamino)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[8-(benzyloxycarbonylamino)octanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxooctadecoxy)-2-[1-oxo-8-(phenylmethoxycarbonylamino)octoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecanoyloxy-2-[8-(phenylmethoxycarbonylamino)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[8-(benzyloxycarbonylamino)octanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H75N2O10P MolecularWeight: 799.026061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C42H75N2O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-30-40(45)50-36-39(37-53-55(48,49)52-34-33-44(2,3)4)54-41(46)31-26-20-18-21-27-32-43-42(47)51-35-38-28-23-22-24-29-38/h22-24,28-29,39H,5-21,25-27,30-37H2,1-4H3,(H-,43,47,48,49)