3-butan-2-ylsulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-butan-2-ylsulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-sec-butylsulfonyl-benzoic acid CAS Name: 3-butan-2-ylsulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-butan-2-ylsulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-fluoro-4-methyl-5-sec-butylsulfonyl-benzoic acid Formula: C12H15FO4S MolecularWeight: 274.308503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

CCC(C)S(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

InChI=1S/C12H15FO4S/c1-4-7(2)18(16,17)11-6-9(12(14)15)5-10(13)8(11)3/h5-7H,4H2,1-3H3,(H,14,15)