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

Systemtic Name: 4-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]carbonylamino]-3-bromanyl-benzenesulfonic acid Openeye Name: 3-bromo-4-[(3,5-dibromo-2-hydroxy-benzoyl)amino]benzenesulfonic acid CAS Name: 3-bromo-4-[[(3,5-dibromo-2-hydroxyphenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-bromo-4-[(3,5-dibromo-2-hydroxybenzoyl)amino]benzenesulfonic acid Traditional Name: 3-bromo-4-[(3,5-dibromo-2-hydroxy-benzoyl)amino]besylic acid Formula: C13H8Br3NO5S MolecularWeight: 529.98332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)Br)NC(=O)C2=CC(=CC(=C2O)Br)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)Br)NC(=O)C2=CC(=CC(=C2O)Br)Br

InChI

InChI=1S/C13H8Br3NO5S/c14-6-3-8(12(18)10(16)4-6)13(19)17-11-2-1-7(5-9(11)15)23(20,21)22/h1-5,18H,(H,17,19)(H,20,21,22)