2-[[3-dodecylsulfanyl-2-[8-(3-methoxy-3-oxidanylidene-propanoyl)oxyoctoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-dodecylsulfanyl-2-[8-(3-methoxy-3-oxidanylidene-propanoyl)oxyoctoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-dodecylsulfanyl-2-[8-(3-methoxy-3-oxo-propanoyl)oxyoctoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(dodecylthio)-2-[8-(3-methoxy-1,3-dioxopropoxy)octoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-dodecylsulfanyl-2-[8-(3-methoxy-3-oxopropanoyl)oxyoctoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-[8-(3-keto-3-methoxy-propanoyl)oxyoctoxy]-3-(laurylthio)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C32H65NO9PS+ MolecularWeight: 670.898561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCOC(=O)CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCOC(=O)CC(=O)OC

InChI

InChI=1S/C32H64NO9PS/c1-6-7-8-9-10-11-12-15-18-21-26-44-29-30(28-42-43(36,37)41-25-22-33(2,3)4)39-23-19-16-13-14-17-20-24-40-32(35)27-31(34)38-5/h30H,6-29H2,1-5H3/p+1