(3-chlorophenyl) 5-chloranyl-4-nitro-thiophene-2-sulfonate

Systemtic Name: (3-chlorophenyl) 5-chloranyl-4-nitro-thiophene-2-sulfonate Openeye Name: (3-chlorophenyl) 5-chloro-4-nitro-thiophene-2-sulfonate CAS Name: 5-chloro-4-nitro-2-thiophenesulfonic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 5-chloro-4-nitrothiophene-2-sulfonate Traditional Name: 5-chloro-4-nitro-thiophene-2-sulfonic acid (3-chlorophenyl) ester Formula: C10H5Cl2NO5S2 MolecularWeight: 354.1864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OS(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OS(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H5Cl2NO5S2/c11-6-2-1-3-7(4-6)18-20(16,17)9-5-8(13(14)15)10(12)19-9/h1-5H