6-bromanyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid

Systemtic Name: 6-bromanyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid Openeye Name: 6-bromo-7-oxo-5,6-dihydro-4H-benzothiophene-3-sulfonic acid CAS Name: 6-bromo-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid IUPAC Name: 6-bromo-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid Traditional Name: 6-bromo-7-keto-5,6-dihydro-4H-benzothiophene-3-sulfonic acid Formula: C8H7BrO4S2 MolecularWeight: 311.17278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1Br)SC=C2S(=O)(=O)O

Isomeric SMILES

C1CC2=C(C(=O)C1Br)SC=C2S(=O)(=O)O

InChI

InChI=1S/C8H7BrO4S2/c9-5-2-1-4-6(15(11,12)13)3-14-8(4)7(5)10/h3,5H,1-2H2,(H,11,12,13)