2-[(2-methylphenyl)-sulfanyl-methylidene]propanedioic acid

Systemtic Name: 2-[(2-methylphenyl)-sulfanyl-methylidene]propanedioic acid Openeye Name: 2-[o-tolyl(sulfanyl)methylene]propanedioic acid CAS Name: 2-[mercapto-(2-methylphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(2-methylphenyl)-sulfanylmethylidene]propanedioic acid Traditional Name: 2-[mercapto(o-tolyl)methylene]malonic acid Formula: C11H10O4S MolecularWeight: 238.2597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O4S/c1-6-4-2-3-5-7(6)9(16)8(10(12)13)11(14)15/h2-5,16H,1H3,(H,12,13)(H,14,15)