2,4-bis(fluoranyl)-5-(propylsulfamoyl)benzoic acid; 3-bromanylbicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: 2,4-bis(fluoranyl)-5-(propylsulfamoyl)benzoic acid; 3-bromanylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 3-bromobicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-difluoro-5-(propylsulfamoyl)benzoic acid CAS Name: 3-bromobicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-difluoro-5-(propylsulfamoyl)benzoic acid IUPAC Name: 3-bromobicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-difluoro-5-(propylsulfamoyl)benzoic acid Traditional Name: 3-bromobicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-difluoro-5-(propylsulfamoyl)benzoic acid Formula: C16H14BrF2NO4S MolecularWeight: 434.252466

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)F)F.C1=CC2=C1C=C2Br

Isomeric SMILES

CCCNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)F)F.C1=CC2=C1C=C2Br

InChI

InChI=1S/C10H11F2NO4S.C6H3Br/c1-2-3-13-18(16,17)9-4-6(10(14)15)7(11)5-8(9)12;7-6-3-4-1-2-5(4)6/h4-5,13H,2-3H2,1H3,(H,14,15);1-3H