3,4-dimethyl-5-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 3-isobutylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 3-isobutylsulfonyl-4,5-dimethyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-8(2)7-18(16,17)12-6-11(13(14)15)5-9(3)10(12)4/h5-6,8H,7H2,1-4H3,(H,14,15)