2,3-dimethyl-4-methylsulfonyl-benzoic acid

Systemtic Name: 2,3-dimethyl-4-methylsulfonyl-benzoic acid Openeye Name: 2,3-dimethyl-4-methylsulfonyl-benzoic acid CAS Name: 2,3-dimethyl-4-methylsulfonylbenzoic acid IUPAC Name: 2,3-dimethyl-4-methylsulfonylbenzoic acid Traditional Name: 4-mesyl-2,3-dimethyl-benzoic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S/c1-6-7(2)9(15(3,13)14)5-4-8(6)10(11)12/h4-5H,1-3H3,(H,11,12)