2-methyl-5-sulfanyl-benzoic acid

Systemtic Name: 2-methyl-5-sulfanyl-benzoic acid Openeye Name: 2-methyl-5-sulfanyl-benzoic acid CAS Name: 5-mercapto-2-methylbenzoic acid IUPAC Name: 2-methyl-5-sulfanylbenzoic acid Traditional Name: 5-mercapto-2-methyl-benzoic acid Formula: C8H8O2S MolecularWeight: 168.21292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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