4-(4-chlorophenyl)-4-oxidanylidene-3-thiocyanato-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanylidene-3-thiocyanato-butanoic acid Openeye Name: 4-(4-chlorophenyl)-4-oxo-3-thiocyanato-butanoic acid CAS Name: 4-(4-chlorophenyl)-4-oxo-3-thiocyanatobutanoic acid IUPAC Name: 4-(4-chlorophenyl)-4-oxo-3-thiocyanatobutanoic acid Traditional Name: 4-(4-chlorophenyl)-4-keto-3-thiocyanato-butyric acid Formula: C11H8ClNO3S MolecularWeight: 269.70412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CC(=O)O)SC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CC(=O)O)SC#N)Cl

InChI

InChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)11(16)9(17-6-13)5-10(14)15/h1-4,9H,5H2,(H,14,15)