5-bromanyl-2-fluoranyl-3-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 5-bromo-2-fluoro-3-isopentylsulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 5-bromo-2-fluoro-3-isoamylsulfonyl-benzoic acid Formula: C12H14BrFO4S MolecularWeight: 353.204563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

InChI

InChI=1S/C12H14BrFO4S/c1-7(2)3-4-19(17,18)10-6-8(13)5-9(11(10)14)12(15)16/h5-7H,3-4H2,1-2H3,(H,15,16)