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

Systemtic Name: (2Z)-2-[(2-methylphenyl)-sulfanyl-methylidene]-3-oxidanylidene-butanedioic acid Openeye Name: (2Z)-2-[o-tolyl(sulfanyl)methylene]-3-oxo-butanedioic acid CAS Name: (2Z)-2-[mercapto-(2-methylphenyl)methylidene]-3-oxobutanedioic acid IUPAC Name: (2Z)-2-[(2-methylphenyl)-sulfanylmethylidene]-3-oxobutanedioic acid Traditional Name: (3Z)-2-keto-3-[mercapto(o-tolyl)methylene]succinic acid Formula: C12H10O5S MolecularWeight: 266.2698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O5S/c1-6-4-2-3-5-7(6)10(18)8(11(14)15)9(13)12(16)17/h2-5,18H,1H3,(H,14,15)(H,16,17)/b10-8-