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

Systemtic Name: (3-chlorophenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (3-chlorophenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (3-chlorophenyl) ester Formula: C12H7ClN2O3S2 MolecularWeight: 326.77858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C12H7ClN2O3S2/c13-8-3-1-4-9(7-8)18-20(16,17)11-6-2-5-10-12(11)15-19-14-10/h1-7H