sodium 2-(benzotriazol-1-ylcarbonyl)benzenesulfonate

Systemtic Name: sodium 2-(benzotriazol-1-ylcarbonyl)benzenesulfonate Openeye Name: sodium 2-(benzotriazole-1-carbonyl)benzenesulfonate CAS Name: sodium 2-[1-benzotriazolyl(oxo)methyl]benzenesulfonate IUPAC Name: sodium 2-(benzotriazole-1-carbonyl)benzenesulfonate Traditional Name: sodium 2-(benzotriazole-1-carbonyl)besylate Formula: C13H8N3NaO4S MolecularWeight: 325.27509

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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-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=N2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H9N3O4S.Na/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);/q;+1/p-1