3-[[2-decoxy-3-(5-sulfanylpentylsulfanyl)propoxy]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 3-[[2-decoxy-3-(5-sulfanylpentylsulfanyl)propoxy]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[[2-decoxy-3-(5-sulfanylpentylsulfanyl)propoxy]-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[[2-decoxy-3-(5-mercaptopentylthio)propoxy]-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[[2-decoxy-3-(5-sulfanylpentylsulfanyl)propoxy]-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[2-decoxy-3-(5-mercaptopentylthio)propoxy]-hydroxy-phosphoryl]propionic acid Formula: C21H43O6PS2 MolecularWeight: 486.666281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCCS

Isomeric SMILES

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCCS

InChI

InChI=1S/C21H43O6PS2/c1-2-3-4-5-6-7-8-10-14-26-20(19-30-17-12-9-11-16-29)18-27-28(24,25)15-13-21(22)23/h20,29H,2-19H2,1H3,(H,22,23)(H,24,25)