2-[[3-dodecylsulfanyl-2-(8-oxidanyloctoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-dodecylsulfanyl-2-(8-oxidanyloctoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-dodecylsulfanyl-2-(8-hydroxyoctoxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(dodecylthio)-2-(8-hydroxyoctoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-dodecylsulfanyl-2-(8-hydroxyoctoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-(8-hydroxyoctoxy)-3-(laurylthio)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C28H61NO6PS+ MolecularWeight: 570.825801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCO

Isomeric SMILES

CCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCO

InChI

InChI=1S/C28H60NO6PS/c1-5-6-7-8-9-10-11-14-17-20-25-37-27-28(33-23-19-16-13-12-15-18-22-30)26-35-36(31,32)34-24-21-29(2,3)4/h28,30H,5-27H2,1-4H3/p+1