6-(4-nonylphenyl)-5-oxidanyl-6-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]hexanoic acid

Systemtic Name: 6-(4-nonylphenyl)-5-oxidanyl-6-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]hexanoic acid Openeye Name: 5-hydroxy-6-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]-6-(4-nonylphenyl)hexanoic acid CAS Name: 5-hydroxy-6-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 5-hydroxy-6-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]-6-(4-nonylphenyl)hexanoic acid Traditional Name: 5-hydroxy-6-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]-6-(4-nonylphenyl)hexanoic acid Formula: C27H38O6S MolecularWeight: 490.65202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SCC2=CC(=O)C(=CO2)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SCC2=CC(=O)C(=CO2)O

InChI

InChI=1S/C27H38O6S/c1-2-3-4-5-6-7-8-10-20-13-15-21(16-14-20)27(23(28)11-9-12-26(31)32)34-19-22-17-24(29)25(30)18-33-22/h13-18,23,27-28,30H,2-12,19H2,1H3,(H,31,32)