6-nitro-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid

Systemtic Name: 6-nitro-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid Openeye Name: 6-nitro-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid CAS Name: 6-nitro-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid IUPAC Name: 6-nitro-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid Traditional Name: 6-nitro-1,3-dihydrobenz[f]isobenzothiophene-8-sulfonic acid Formula: C12H9NO5S2 MolecularWeight: 311.33356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CS1)C=C3C(=C2)C=C(C=C3S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(CS1)C=C3C(=C2)C=C(C=C3S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO5S2/c14-13(15)10-2-7-1-8-5-19-6-9(8)3-11(7)12(4-10)20(16,17)18/h1-4H,5-6H2,(H,16,17,18)