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

Systemtic Name: 5-bromanyl-3-(2-ethylsulfonylethylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-(2-ethylsulfonylethylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-bromo-3-(2-ethylsulfonylethylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-(2-ethylsulfonylethylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-bromo-3-(2-esylethylsulfonyl)-2-fluoro-benzoic acid Formula: C11H12BrFO6S2 MolecularWeight: 403.241783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrFO6S2/c1-2-20(16,17)3-4-21(18,19)9-6-7(12)5-8(10(9)13)11(14)15/h5-6H,2-4H2,1H3,(H,14,15)