(2-acetyloxy-3-octadecanoyloxy-propyl) 2-(dimethylazaniumyl)ethyl phosphate; octadecanoic acid

Systemtic Name: (2-acetyloxy-3-octadecanoyloxy-propyl) 2-(dimethylazaniumyl)ethyl phosphate; octadecanoic acid Openeye Name: (2-acetoxy-3-octadecanoyloxy-propyl) 2-(dimethylammonio)ethyl phosphate; stearic acid CAS Name: [2-acetyloxy-3-(1-oxooctadecoxy)propyl] 2-(dimethylammonio)ethyl phosphate; octadecanoic acid IUPAC Name: (2-acetyloxy-3-octadecanoyloxypropyl) 2-(dimethylazaniumyl)ethyl phosphate; octadecanoic acid Traditional Name: (2-acetoxy-3-stearoyloxy-propyl) 2-(dimethylammonio)ethyl phosphate; stearic acid Formula: C45H90NO10P MolecularWeight: 836.170561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH+](C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH+](C)C)OC(=O)C

InChI

InChI=1S/C27H54NO8P.C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-26(36-25(2)29)24-35-37(31,32)34-22-21-28(3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h26H,5-24H2,1-4H3,(H,31,32);2-17H2,1H3,(H,19,20)