(5-fluoranyl-2-nitro-phenyl) 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C12H6FN3O5S2 MolecularWeight: 355.321543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6FN3O5S2/c13-7-4-5-9(16(17)18)10(6-7)21-23(19,20)11-3-1-2-8-12(11)15-22-14-8/h1-6H