methyl 3-methyl-4-sulfanyl-benzoate

Systemtic Name: methyl 3-methyl-4-sulfanyl-benzoate Openeye Name: methyl 3-methyl-4-sulfanyl-benzoate CAS Name: 4-mercapto-3-methylbenzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-sulfanylbenzoate Traditional Name: 4-mercapto-3-methyl-benzoic acid methyl ester Formula: C9H10O2S MolecularWeight: 182.2395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2S/c1-6-5-7(9(10)11-2)3-4-8(6)12/h3-5,12H,1-2H3