2-(2-methoxy-2-oxidanylidene-ethyl)-6-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 2-(2-methoxy-2-oxidanylidene-ethyl)-6-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 2-(2-methoxy-2-oxo-ethyl)-6-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 2-(2-methoxy-2-oxoethyl)-6-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 2-(2-methoxy-2-oxoethyl)-6-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 2-(2-keto-2-methoxy-ethyl)-6-triflyloxy-benzoic acid Formula: C11H9F3O7S MolecularWeight: 342.24517

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

COC(=O)CC1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H9F3O7S/c1-20-8(15)5-6-3-2-4-7(9(6)10(16)17)21-22(18,19)11(12,13)14/h2-4H,5H2,1H3,(H,16,17)