5-chloranyl-2-fluoranyl-3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 5-chloranyl-2-fluoranyl-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 5-chloro-2-fluoro-3-isobutylsulfonyl-benzoic acid CAS Name: 5-chloro-2-fluoro-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 5-chloro-2-fluoro-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 5-chloro-2-fluoro-3-isobutylsulfonyl-benzoic acid Formula: C11H12ClFO4S MolecularWeight: 294.726983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F

Isomeric SMILES

CC(C)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F

InChI

InChI=1S/C11H12ClFO4S/c1-6(2)5-18(16,17)9-4-7(12)3-8(10(9)13)11(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)