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

Systemtic Name: 2-[[2-(dioxidanyl)-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-hydroperoxy-3-octadecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-hydroperoxy-3-(1-oxooctadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-hydroperoxy-3-octadecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-hydroperoxy-3-stearoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C26H55NO8P+ MolecularWeight: 540.690561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OO

InChI

InChI=1S/C26H54NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)32-23-25(35-29)24-34-36(30,31)33-22-21-27(2,3)4/h25H,5-24H2,1-4H3,(H-,29,30,31)/p+1