2-chloranyl-2-(3-methylphenyl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-chloranyl-2-(3-methylphenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-chloro-2-(m-tolyl)-2-sulfanyl-acetic acid CAS Name: 2-chloro-2-mercapto-2-(3-methylphenyl)acetic acid IUPAC Name: 2-chloro-2-(3-methylphenyl)-2-sulfanylacetic acid Traditional Name: 2-chloro-2-mercapto-2-(m-tolyl)acetic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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