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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)OC3=CC=C(C=C3)Cl

InChI

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