(2-methoxy-4-methyl-phenyl) 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: (2-methoxy-4-methyl-phenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (2-methoxy-4-methyl-phenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (2-methoxy-4-methyl-phenyl) ester Formula: C14H12N2O4S2 MolecularWeight: 336.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC3=NSN=C32)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC3=NSN=C32)OC

InChI

InChI=1S/C14H12N2O4S2/c1-9-6-7-11(12(8-9)19-2)20-22(17,18)13-5-3-4-10-14(13)16-21-15-10/h3-8H,1-2H3