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

Systemtic Name: 3-(4-methylphenyl)-2-sulfanyl-3-sulfanylidene-propanoic acid Openeye Name: 3-(p-tolyl)-2-sulfanyl-3-thioxo-propanoic acid CAS Name: 2-mercapto-3-(4-methylphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 3-(4-methylphenyl)-2-sulfanyl-3-sulfanylidenepropanoic acid Traditional Name: 2-mercapto-3-(p-tolyl)-3-thioxo-propionic acid Formula: C10H10O2S2 MolecularWeight: 226.3152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O2S2/c1-6-2-4-7(5-3-6)8(13)9(14)10(11)12/h2-5,9,14H,1H3,(H,11,12)