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

Systemtic Name: 5-acetamido-2H-benzotriazole-4-sulfonic acid Openeye Name: 5-acetamido-2H-benzotriazole-4-sulfonic acid CAS Name: 5-acetamido-2H-benzotriazole-4-sulfonic acid IUPAC Name: 5-acetamido-2H-benzotriazole-4-sulfonic acid Traditional Name: 5-acetamido-2H-benzotriazole-4-sulfonic acid Formula: C8H8N4O4S MolecularWeight: 256.23852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=NNN=C2C=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=NNN=C2C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H8N4O4S/c1-4(13)9-6-3-2-5-7(11-12-10-5)8(6)17(14,15)16/h2-3H,1H3,(H,9,13)(H,10,11,12)(H,14,15,16)