4-(1,2,4-triazol-4-yl)benzenesulfonate

Systemtic Name: 4-(1,2,4-triazol-4-yl)benzenesulfonate Openeye Name: 4-(1,2,4-triazol-4-yl)benzenesulfonate CAS Name: 4-(1,2,4-triazol-4-yl)benzenesulfonate IUPAC Name: 4-(1,2,4-triazol-4-yl)benzenesulfonate Traditional Name: 4-(1,2,4-triazol-4-yl)besylate Formula: C8H6N3O3S- MolecularWeight: 224.21654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C=NN=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C8H7N3O3S/c12-15(13,14)8-3-1-7(2-4-8)11-5-9-10-6-11/h1-6H,(H,12,13,14)/p-1