2-[[3-heptylsulfanyl-2-[octyl(oxidanyl)phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethylazanium

Systemtic Name: 2-[[3-heptylsulfanyl-2-[octyl(oxidanyl)phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethylazanium Openeye Name: 2-[[3-heptylsulfanyl-2-[hydroxy(octyl)phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxyethylammonium CAS Name: 2-[[3-(heptylthio)-2-[hydroxy(octyl)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethylammonium IUPAC Name: 2-[[3-heptylsulfanyl-2-[hydroxy(octyl)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethylazanium Traditional Name: 2-[[3-(heptylthio)-2-[hydroxy(octyl)phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxyethylammonium Formula: C20H46NO7P2S+ MolecularWeight: 506.594262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCP(=O)(O)OC(COP(=O)(O)OCC[NH3+])CSCCCCCCC

Isomeric SMILES

CCCCCCCCP(=O)(O)OC(COP(=O)(O)OCC[NH3+])CSCCCCCCC

InChI

InChI=1S/C20H45NO7P2S/c1-3-5-7-9-10-12-16-29(22,23)28-20(18-27-30(24,25)26-15-14-21)19-31-17-13-11-8-6-4-2/h20H,3-19,21H2,1-2H3,(H,22,23)(H,24,25)/p+1