3-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[(3,5-dibromo-4-hydroxy-phenyl)sulfamoyl]benzoic acid CAS Name: 3-[(3,5-dibromo-4-hydroxyphenyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(3,5-dibromo-4-hydroxyphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(3,5-dibromo-4-hydroxy-phenyl)sulfamoyl]benzoic acid Formula: C13H9Br2NO5S MolecularWeight: 451.08726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C(=C2)Br)O)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C(=C2)Br)O)Br)C(=O)O

InChI

InChI=1S/C13H9Br2NO5S/c14-10-5-8(6-11(15)12(10)17)16-22(20,21)9-3-1-2-7(4-9)13(18)19/h1-6,16-17H,(H,18,19)