3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]sulfamoyl]benzoic acid Openeye Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid IUPAC Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid Formula: C14H9F2NO6S MolecularWeight: 357.286166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

InChI

InChI=1S/C14H9F2NO6S/c15-14(16)22-11-5-4-9(7-12(11)23-14)17-24(20,21)10-3-1-2-8(6-10)13(18)19/h1-7,17H,(H,18,19)