3-methyl-4-sulfanyl-benzoic acid

Systemtic Name: 3-methyl-4-sulfanyl-benzoic acid Openeye Name: 3-methyl-4-sulfanyl-benzoic acid CAS Name: 4-mercapto-3-methylbenzoic acid IUPAC Name: 3-methyl-4-sulfanylbenzoic acid Traditional Name: 4-mercapto-3-methyl-benzoic acid Formula: C8H8O2S MolecularWeight: 168.21292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O2S/c1-5-4-6(8(9)10)2-3-7(5)11/h2-4,11H,1H3,(H,9,10)