3-[(5-bromanylthiophen-2-yl)methylsulfonyl]-5-chloranyl-2-fluoranyl-benzoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylsulfonyl]-5-chloranyl-2-fluoranyl-benzoic acid Openeye Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]-5-chloro-2-fluoro-benzoic acid CAS Name: 3-[(5-bromo-2-thiophenyl)methylsulfonyl]-5-chloro-2-fluorobenzoic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)methylsulfonyl]-5-chloro-2-fluorobenzoic acid Traditional Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]-5-chloro-2-fluoro-benzoic acid Formula: C12H7BrClFO4S2 MolecularWeight: 413.666983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CS(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)F

Isomeric SMILES

C1=C(SC(=C1)Br)CS(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)F

InChI

InChI=1S/C12H7BrClFO4S2/c13-10-2-1-7(20-10)5-21(18,19)9-4-6(14)3-8(11(9)15)12(16)17/h1-4H,5H2,(H,16,17)