3-[(5-bromanylthiophen-2-yl)methylsulfonyl]-2,6-bis(fluoranyl)benzoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylsulfonyl]-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]-2,6-difluoro-benzoic acid CAS Name: 3-[(5-bromo-2-thiophenyl)methylsulfonyl]-2,6-difluorobenzoic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)methylsulfonyl]-2,6-difluorobenzoic acid Traditional Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]-2,6-difluoro-benzoic acid Formula: C12H7BrF2O4S2 MolecularWeight: 397.212386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CC2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CC2=CC=C(S2)Br

InChI

InChI=1S/C12H7BrF2O4S2/c13-9-4-1-6(20-9)5-21(18,19)8-3-2-7(14)10(11(8)15)12(16)17/h1-4H,5H2,(H,16,17)