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

Systemtic Name: (4-methanoylphenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (4-formylphenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (4-formylphenyl) ester IUPAC Name: (4-formylphenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (4-formylphenyl) ester Formula: C13H8N2O4S2 MolecularWeight: 320.34362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O4S2/c16-8-9-4-6-10(7-5-9)19-21(17,18)12-3-1-2-11-13(12)15-20-14-11/h1-8H