3,5-dimethyl-2-sulfanyl-benzoic acid

Systemtic Name: 3,5-dimethyl-2-sulfanyl-benzoic acid Openeye Name: 3,5-dimethyl-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-3,5-dimethylbenzoic acid IUPAC Name: 3,5-dimethyl-2-sulfanylbenzoic acid Traditional Name: 2-mercapto-3,5-dimethyl-benzoic acid Formula: C9H10O2S MolecularWeight: 182.2395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2S/c1-5-3-6(2)8(12)7(4-5)9(10)11/h3-4,12H,1-2H3,(H,10,11)