4-oxidanylidene-1,2-dihydrobenzotriazole-5-sulfonic acid

Systemtic Name: 4-oxidanylidene-1,2-dihydrobenzotriazole-5-sulfonic acid Openeye Name: 4-oxo-1,2-dihydrobenzotriazole-5-sulfonic acid CAS Name: 4-oxo-1,2-dihydrobenzotriazole-5-sulfonic acid IUPAC Name: 4-oxo-1,2-dihydrobenzotriazole-5-sulfonic acid Traditional Name: 4-keto-1,2-dihydrobenzotriazole-5-sulfonic acid Formula: C6H5N3O4S MolecularWeight: 215.1866

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NNN2)C(=O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=C2C(=NNN2)C(=O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C6H5N3O4S/c10-6-4(14(11,12)13)2-1-3-5(6)8-9-7-3/h1-2,7,9H,(H,11,12,13)