4-(4-methylphenyl)-2-sulfanyl-3-sulfanylidene-butanoic acid

Systemtic Name: 4-(4-methylphenyl)-2-sulfanyl-3-sulfanylidene-butanoic acid Openeye Name: 4-(p-tolyl)-2-sulfanyl-3-thioxo-butanoic acid CAS Name: 2-mercapto-4-(4-methylphenyl)-3-sulfanylidenebutanoic acid IUPAC Name: 4-(4-methylphenyl)-2-sulfanyl-3-sulfanylidenebutanoic acid Traditional Name: 2-mercapto-4-(p-tolyl)-3-thioxo-butyric acid Formula: C11H12O2S2 MolecularWeight: 240.34178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=S)C(C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)CC(=S)C(C(=O)O)S

InChI

InChI=1S/C11H12O2S2/c1-7-2-4-8(5-3-7)6-9(14)10(15)11(12)13/h2-5,10,15H,6H2,1H3,(H,12,13)