(2-nitrophenyl) 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: (2-nitrophenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (2-nitrophenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (2-nitrophenyl) ester Formula: C12H7N3O5S2 MolecularWeight: 337.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C12H7N3O5S2/c16-15(17)9-5-1-2-6-10(9)20-22(18,19)11-7-3-4-8-12(11)14-21-13-8/h1-7H