(2Z)-2-[(2-methylphenyl)-sulfanyl-methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2Z)-2-[(2-methylphenyl)-sulfanyl-methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2Z)-2-[o-tolyl(sulfanyl)methylene]-3-oxo-butanoic acid CAS Name: (2Z)-2-[mercapto-(2-methylphenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2Z)-2-[(2-methylphenyl)-sulfanylmethylidene]-3-oxobutanoic acid Traditional Name: (Z)-2-acetyl-3-mercapto-3-(o-tolyl)acrylic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C(C(=O)C)C(=O)O)S

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3S/c1-7-5-3-4-6-9(7)11(16)10(8(2)13)12(14)15/h3-6,16H,1-2H3,(H,14,15)/b11-10-