2-(5-chloranyl-2-cyano-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(5-chloranyl-2-cyano-phenyl)sulfanylethanoic acid Openeye Name: 2-(5-chloro-2-cyano-phenyl)sulfanylacetic acid CAS Name: 2-[(5-chloro-2-cyanophenyl)thio]acetic acid IUPAC Name: 2-(5-chloro-2-cyanophenyl)sulfanylacetic acid Traditional Name: 2-[(5-chloro-2-cyano-phenyl)thio]acetic acid Formula: C9H6ClNO2S MolecularWeight: 227.66744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SCC(=O)O)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)SCC(=O)O)C#N

InChI

InChI=1S/C9H6ClNO2S/c10-7-2-1-6(4-11)8(3-7)14-5-9(12)13/h1-3H,5H2,(H,12,13)