4-methyl-3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 4-methyl-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 3-isobutylsulfonyl-4-methyl-benzoic acid CAS Name: 4-methyl-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 4-methyl-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 3-isobutylsulfonyl-4-methyl-benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-8(2)7-17(15,16)11-6-10(12(13)14)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,13,14)