3,4-dimethyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-methylsulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-methylsulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-methylsulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-methylsulfonylbenzoic acid Traditional Name: 3-mesyl-4,5-dimethyl-benzoic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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