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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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