2-methyl-4-methylsulfanyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-methyl-4-methylsulfanyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-methyl-4-methylsulfanyl-5-methylsulfonyl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(methylthio)benzoic acid IUPAC Name: 2-methyl-4-methylsulfanyl-5-methylsulfonylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-(methylthio)benzoic acid Formula: C10H12O4S2 MolecularWeight: 260.32988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC

InChI

InChI=1S/C10H12O4S2/c1-6-4-8(15-2)9(16(3,13)14)5-7(6)10(11)12/h4-5H,1-3H3,(H,11,12)