1-methylbenzotriazole-4-sulfonate; 1H-1,2,3,4-tetrazol-1-ium

Systemtic Name: 1-methylbenzotriazole-4-sulfonate; 1H-1,2,3,4-tetrazol-1-ium Openeye Name: 1-methylbenzotriazole-4-sulfonate; 1H-tetrazol-1-ium CAS Name: 1-methyl-4-benzotriazolesulfonate; 1H-tetrazol-1-ium IUPAC Name: 1-methylbenzotriazole-4-sulfonate; 1H-tetrazol-1-ium Traditional Name: 1-methylbenzotriazole-4-sulfonate; 1H-tetrazol-1-ium Formula: C8H9N7O3S MolecularWeight: 283.26716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)S(=O)(=O)[O-])N=N1.C1=NN=N[NH2+]1

Isomeric SMILES

CN1C2=C(C(=CC=C2)S(=O)(=O)[O-])N=N1.C1=NN=N[NH2+]1

InChI

InChI=1S/C7H7N3O3S.CH2N4/c1-10-5-3-2-4-6(14(11,12)13)7(5)8-9-10;1-2-4-5-3-1/h2-4H,1H3,(H,11,12,13);1H,(H,2,3,4,5)