2-(benzotriazol-1-ylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-(benzotriazol-1-ylcarbonyl)benzenesulfonic acid Openeye Name: 2-(benzotriazole-1-carbonyl)benzenesulfonic acid CAS Name: 2-[1-benzotriazolyl(oxo)methyl]benzenesulfonic acid IUPAC Name: 2-(benzotriazole-1-carbonyl)benzenesulfonic acid Traditional Name: 2-(benzotriazole-1-carbonyl)besylic acid Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=N2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=N2)S(=O)(=O)O

InChI

InChI=1S/C13H9N3O4S/c17-13(9-5-1-4-8-12(9)21(18,19)20)16-11-7-3-2-6-10(11)14-15-16/h1-8H,(H,18,19,20)