4-(4-chlorophenyl)-4-oxidanylidene-2-sulfanyl-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanylidene-2-sulfanyl-butanoic acid Openeye Name: 4-(4-chlorophenyl)-4-oxo-2-sulfanyl-butanoic acid CAS Name: 4-(4-chlorophenyl)-2-mercapto-4-oxobutanoic acid IUPAC Name: 4-(4-chlorophenyl)-4-oxo-2-sulfanylbutanoic acid Traditional Name: 4-(4-chlorophenyl)-4-keto-2-mercapto-butyric acid Formula: C10H9ClO3S MolecularWeight: 244.69466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)O)S)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)O)S)Cl

InChI

InChI=1S/C10H9ClO3S/c11-7-3-1-6(2-4-7)8(12)5-9(15)10(13)14/h1-4,9,15H,5H2,(H,13,14)