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

Systemtic Name: 6-cyano-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid Openeye Name: 6-cyano-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid CAS Name: 6-cyano-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid IUPAC Name: 6-cyano-1,3-dihydrobenzo[f][2]benzothiole-8-sulfonic acid Traditional Name: 6-cyano-1,3-dihydrobenz[f]isobenzothiophene-8-sulfonic acid Formula: C13H9NO3S2 MolecularWeight: 291.34546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CS1)C=C3C(=C2)C=C(C=C3S(=O)(=O)O)C#N

Isomeric SMILES

C1C2=C(CS1)C=C3C(=C2)C=C(C=C3S(=O)(=O)O)C#N

InChI

InChI=1S/C13H9NO3S2/c14-5-8-1-9-3-10-6-18-7-11(10)4-12(9)13(2-8)19(15,16)17/h1-4H,6-7H2,(H,15,16,17)