2-(4-chloranyl-2-methyl-phenyl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(4-chloranyl-2-methyl-phenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-(4-chloro-2-methyl-phenyl)-2-sulfanyl-acetic acid CAS Name: 2-(4-chloro-2-methylphenyl)-2-mercaptoacetic acid IUPAC Name: 2-(4-chloro-2-methylphenyl)-2-sulfanylacetic acid Traditional Name: 2-(4-chloro-2-methyl-phenyl)-2-mercapto-acetic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(C(=O)O)S

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(C(=O)O)S

InChI

InChI=1S/C9H9ClO2S/c1-5-4-6(10)2-3-7(5)8(13)9(11)12/h2-4,8,13H,1H3,(H,11,12)