2-[5-(trifluoromethylsulfonyloxy)-1-benzofuran-2-yl]propanoic acid

Systemtic Name: 2-[5-(trifluoromethylsulfonyloxy)-1-benzofuran-2-yl]propanoic acid Openeye Name: 2-[5-(trifluoromethylsulfonyloxy)benzofuran-2-yl]propanoic acid CAS Name: 2-[5-(trifluoromethylsulfonyloxy)-2-benzofuranyl]propanoic acid IUPAC Name: 2-[5-(trifluoromethylsulfonyloxy)-1-benzofuran-2-yl]propanoic acid Traditional Name: 2-(5-triflyloxybenzofuran-2-yl)propionic acid Formula: C12H9F3O6S MolecularWeight: 338.25647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(O1)C=CC(=C2)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(O1)C=CC(=C2)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9F3O6S/c1-6(11(16)17)10-5-7-4-8(2-3-9(7)20-10)21-22(18,19)12(13,14)15/h2-6H,1H3,(H,16,17)