3-methoxy-4-methylsulfanyl-benzoic acid

Systemtic Name: 3-methoxy-4-methylsulfanyl-benzoic acid Openeye Name: 3-methoxy-4-methylsulfanyl-benzoic acid CAS Name: 3-methoxy-4-(methylthio)benzoic acid IUPAC Name: 3-methoxy-4-methylsulfanylbenzoic acid Traditional Name: 3-methoxy-4-(methylthio)benzoic acid Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)SC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)SC

InChI

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