methyl 3-methylsulfanyl-4-oxidanyl-benzoate

Systemtic Name: methyl 3-methylsulfanyl-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-3-methylsulfanyl-benzoate CAS Name: 4-hydroxy-3-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-methylsulfanylbenzoate Traditional Name: 4-hydroxy-3-(methylthio)benzoic acid methyl ester Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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