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

Systemtic Name: 5-bromanyl-3-(cyanomethylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-(cyanomethylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-bromo-3-(cyanomethylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-(cyanomethylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-bromo-3-(cyanomethylsulfonyl)-2-fluoro-benzoic acid Formula: C9H5BrFNO4S MolecularWeight: 322.107703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5BrFNO4S/c10-5-3-6(9(13)14)8(11)7(4-5)17(15,16)2-1-12/h3-4H,2H2,(H,13,14)