methyl 2-methylsulfanyl-3-oxidanyl-benzoate

Systemtic Name: methyl 2-methylsulfanyl-3-oxidanyl-benzoate Openeye Name: methyl 3-hydroxy-2-methylsulfanyl-benzoate CAS Name: 3-hydroxy-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-methylsulfanylbenzoate Traditional Name: 3-hydroxy-2-(methylthio)benzoic acid methyl ester Formula: C9H10O3S MolecularWeight: 198.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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