6-cyano-1,3-dihydro-2-benzothiophene-5-sulfonic acid

Systemtic Name: 6-cyano-1,3-dihydro-2-benzothiophene-5-sulfonic acid Openeye Name: 6-cyano-1,3-dihydro-2-benzothiophene-5-sulfonic acid CAS Name: 6-cyano-1,3-dihydro-2-benzothiophene-5-sulfonic acid IUPAC Name: 6-cyano-1,3-dihydro-2-benzothiophene-5-sulfonic acid Traditional Name: 6-cyano-1,3-dihydroisobenzothiophene-5-sulfonic acid Formula: C9H7NO3S2 MolecularWeight: 241.28678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CS1)C=C(C(=C2)C#N)S(=O)(=O)O

Isomeric SMILES

C1C2=C(CS1)C=C(C(=C2)C#N)S(=O)(=O)O

InChI

InChI=1S/C9H7NO3S2/c10-3-6-1-7-4-14-5-8(7)2-9(6)15(11,12)13/h1-2H,4-5H2,(H,11,12,13)