5-oxidanylidene-2,3-dihydrobenzotriazole-4-sulfonic acid

Systemtic Name: 5-oxidanylidene-2,3-dihydrobenzotriazole-4-sulfonic acid Openeye Name: 5-oxo-2,3-dihydrobenzotriazole-4-sulfonic acid CAS Name: 5-oxo-2,3-dihydrobenzotriazole-4-sulfonic acid IUPAC Name: 5-oxo-2,3-dihydrobenzotriazole-4-sulfonic acid Traditional Name: 5-keto-2,3-dihydrobenzotriazole-4-sulfonic acid Formula: C6H5N3O4S MolecularWeight: 215.1866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=C2C1=NNN2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=O)C(=C2C1=NNN2)S(=O)(=O)O

InChI

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