3-[[3-[3-(4-tert-butylphenyl)octylsulfanyl]-2-decoxy-propoxy]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 3-[[3-[3-(4-tert-butylphenyl)octylsulfanyl]-2-decoxy-propoxy]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[[3-[3-(4-tert-butylphenyl)octylsulfanyl]-2-decoxy-propoxy]-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[[3-[3-(4-tert-butylphenyl)octylthio]-2-decoxypropoxy]-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[[3-[3-(4-tert-butylphenyl)octylsulfanyl]-2-decoxypropoxy]-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[3-[3-(4-tert-butylphenyl)octylthio]-2-decoxy-propoxy]-hydroxy-phosphoryl]propionic acid Formula: C34H61O6PS MolecularWeight: 628.883301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCC(CCCCC)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCC(CCCCC)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C34H61O6PS/c1-6-8-10-11-12-13-14-16-24-39-32(27-40-41(37,38)25-22-33(35)36)28-42-26-23-29(17-15-9-7-2)30-18-20-31(21-19-30)34(3,4)5/h18-21,29,32H,6-17,22-28H2,1-5H3,(H,35,36)(H,37,38)