4-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-[(3,5-dibromo-2-hydroxy-benzoyl)amino]benzenesulfonic acid CAS Name: 4-[[(3,5-dibromo-2-hydroxyphenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(3,5-dibromo-2-hydroxybenzoyl)amino]benzenesulfonic acid Traditional Name: 4-[(3,5-dibromo-2-hydroxy-benzoyl)amino]besylic acid Formula: C13H9Br2NO5S MolecularWeight: 451.08726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2O)Br)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2O)Br)Br)S(=O)(=O)O

InChI

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