3-(4-methylphenyl)sulfanyl-2-[(4-methylphenyl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(4-methylphenyl)sulfanyl-2-[(4-methylphenyl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-5-oxo-3-(p-tolylsulfanyl)-2-(p-tolylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 4-hydroxy-3-[(4-methylphenyl)thio]-2-[[(4-methylphenyl)thio]methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-(4-methylphenyl)sulfanyl-2-[(4-methylphenyl)sulfanylmethyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-(p-tolylthio)-2-[(p-tolylthio)methyl]-2-furoic acid Formula: C20H18O5S2 MolecularWeight: 402.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2(C(=C(C(=O)O2)O)SC3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2(C(=C(C(=O)O2)O)SC3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H18O5S2/c1-12-3-7-14(8-4-12)26-11-20(19(23)24)17(16(21)18(22)25-20)27-15-9-5-13(2)6-10-15/h3-10,21H,11H2,1-2H3,(H,23,24)