5-[(5-bromanylthiophen-2-yl)methylsulfonyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(5-bromanylthiophen-2-yl)methylsulfonyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[(5-bromo-2-thienyl)methylsulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[(5-bromo-2-thiophenyl)methylsulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[(5-bromothiophen-2-yl)methylsulfonyl]-2-fluorobenzoic acid Traditional Name: 5-[(5-bromo-2-thienyl)methylsulfonyl]-2-fluoro-benzoic acid Formula: C12H8BrFO4S2 MolecularWeight: 379.221923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O)F

InChI

InChI=1S/C12H8BrFO4S2/c13-11-4-1-7(19-11)6-20(17,18)8-2-3-10(14)9(5-8)12(15)16/h1-5H,6H2,(H,15,16)