5-bromanyl-2-fluoranyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(3-methylbut-2-enylsulfonyl)benzoic acid CAS Name: 5-bromo-2-fluoro-3-(3-methylbut-2-enylsulfonyl)benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(3-methylbut-2-enylsulfonyl)benzoic acid Traditional Name: 5-bromo-2-fluoro-3-(3-methylbut-2-enylsulfonyl)benzoic acid Formula: C12H12BrFO4S MolecularWeight: 351.188683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrFO4S/c1-7(2)3-4-19(17,18)10-6-8(13)5-9(11(10)14)12(15)16/h3,5-6H,4H2,1-2H3,(H,15,16)