5-cyano-2H-benzotriazole-4-sulfonic acid

Systemtic Name: 5-cyano-2H-benzotriazole-4-sulfonic acid Openeye Name: 5-cyano-2H-benzotriazole-4-sulfonic acid CAS Name: 5-cyano-2H-benzotriazole-4-sulfonic acid IUPAC Name: 5-cyano-2H-benzotriazole-4-sulfonic acid Traditional Name: 5-cyano-2H-benzotriazole-4-sulfonic acid Formula: C7H4N4O3S MolecularWeight: 224.19666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NNN=C2C(=C1C#N)S(=O)(=O)O

Isomeric SMILES

C1=CC2=NNN=C2C(=C1C#N)S(=O)(=O)O

InChI

InChI=1S/C7H4N4O3S/c8-3-4-1-2-5-6(10-11-9-5)7(4)15(12,13)14/h1-2H,(H,9,10,11)(H,12,13,14)