2-(4-chlorophenyl)-2-thiocyanato-ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-thiocyanato-ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-thiocyanato-acetic acid CAS Name: 2-(4-chlorophenyl)-2-thiocyanatoacetic acid IUPAC Name: 2-(4-chlorophenyl)-2-thiocyanatoacetic acid Traditional Name: 2-(4-chlorophenyl)-2-thiocyanato-acetic acid Formula: C9H6ClNO2S MolecularWeight: 227.66744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6ClNO2S/c10-7-3-1-6(2-4-7)8(9(12)13)14-5-11/h1-4,8H,(H,12,13)