2-(5-bromanylbenzotriazol-1-yl)carbonylbenzenesulfonate

Systemtic Name: 2-(5-bromanylbenzotriazol-1-yl)carbonylbenzenesulfonate Openeye Name: 2-(5-bromobenzotriazole-1-carbonyl)benzenesulfonate CAS Name: 2-[(5-bromo-1-benzotriazolyl)-oxomethyl]benzenesulfonate IUPAC Name: 2-(5-bromobenzotriazole-1-carbonyl)benzenesulfonate Traditional Name: 2-(5-bromobenzotriazole-1-carbonyl)besylate Formula: C13H7BrN3O4S- MolecularWeight: 381.18138

Click to see the large picture

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)/p-1