2,6-bis(fluoranyl)-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate

Systemtic Name: 2,6-bis(fluoranyl)-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: 2,6-difluoro-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 2,6-difluoro-3-(4-pyridin-1-iumylsulfamoyl)benzoate IUPAC Name: 2,6-difluoro-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 2,6-difluoro-3-(pyridin-1-ium-4-ylsulfamoyl)benzoate Formula: C12H8F2N2O4S MolecularWeight: 314.264726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)C(=O)[O-])F)S(=O)(=O)NC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC(=C(C(=C1F)C(=O)[O-])F)S(=O)(=O)NC2=CC=[NH+]C=C2

InChI

InChI=1S/C12H8F2N2O4S/c13-8-1-2-9(11(14)10(8)12(17)18)21(19,20)16-7-3-5-15-6-4-7/h1-6H,(H,15,16)(H,17,18)