2-methoxy-4-methyl-5-sulfanyl-benzoic acid

Systemtic Name: 2-methoxy-4-methyl-5-sulfanyl-benzoic acid Openeye Name: 2-methoxy-4-methyl-5-sulfanyl-benzoic acid CAS Name: 5-mercapto-2-methoxy-4-methylbenzoic acid IUPAC Name: 2-methoxy-4-methyl-5-sulfanylbenzoic acid Traditional Name: 5-mercapto-2-methoxy-4-methyl-benzoic acid Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3S/c1-5-3-7(12-2)6(9(10)11)4-8(5)13/h3-4,13H,1-2H3,(H,10,11)