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

Systemtic Name: 4-bromanyl-3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 4-bromo-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C9H6BrF3O4S MolecularWeight: 347.10575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6BrF3O4S/c10-6-2-1-5(8(14)15)3-7(6)18(16,17)4-9(11,12)13/h1-3H,4H2,(H,14,15)