5-bromanyl-2-fluoranyl-3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 5-bromo-2-fluoro-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 5-bromo-2-fluoro-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C9H5BrF4O4S MolecularWeight: 365.096213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)CC(F)(F)F)F)C(=O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)CC(F)(F)F)F)C(=O)O)Br

InChI

InChI=1S/C9H5BrF4O4S/c10-4-1-5(8(15)16)7(11)6(2-4)19(17,18)3-9(12,13)14/h1-2H,3H2,(H,15,16)