5-(4-nitrophenyl)-2H-benzotriazole-4-sulfonic acid

Systemtic Name: 5-(4-nitrophenyl)-2H-benzotriazole-4-sulfonic acid Openeye Name: 5-(4-nitrophenyl)-2H-benzotriazole-4-sulfonic acid CAS Name: 5-(4-nitrophenyl)-2H-benzotriazole-4-sulfonic acid IUPAC Name: 5-(4-nitrophenyl)-2H-benzotriazole-4-sulfonic acid Traditional Name: 5-(4-nitrophenyl)-2H-benzotriazole-4-sulfonic acid Formula: C12H8N4O5S MolecularWeight: 320.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=NNN=C3C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=NNN=C3C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O5S/c17-16(18)8-3-1-7(2-4-8)9-5-6-10-11(14-15-13-10)12(9)22(19,20)21/h1-6H,(H,13,14,15)(H,19,20,21)