3-fluoranyl-4-methyl-5-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 3-fluoro-5-isobutylsulfonyl-4-methyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 3-fluoro-5-isobutylsulfonyl-4-methyl-benzoic acid Formula: C12H15FO4S MolecularWeight: 274.308503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC(C)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC(C)C)C(=O)O)F

InChI

InChI=1S/C12H15FO4S/c1-7(2)6-18(16,17)11-5-9(12(14)15)4-10(13)8(11)3/h4-5,7H,6H2,1-3H3,(H,14,15)