2-(5-bromanylbenzotriazol-1-yl)carbonylbenzenesulfonic acid

Systemtic Name: 2-(5-bromanylbenzotriazol-1-yl)carbonylbenzenesulfonic acid Openeye Name: 2-(5-bromobenzotriazole-1-carbonyl)benzenesulfonic acid CAS Name: 2-[(5-bromo-1-benzotriazolyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(5-bromobenzotriazole-1-carbonyl)benzenesulfonic acid Traditional Name: 2-(5-bromobenzotriazole-1-carbonyl)besylic acid Formula: C13H8BrN3O4S MolecularWeight: 382.18932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N2C3=C(C=C(C=C3)Br)N=N2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N2C3=C(C=C(C=C3)Br)N=N2)S(=O)(=O)O

InChI

InChI=1S/C13H8BrN3O4S/c14-8-5-6-11-10(7-8)15-16-17(11)13(18)9-3-1-2-4-12(9)22(19,20)21/h1-7H,(H,19,20,21)