3-ethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 3-ethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 3-ethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 3-ethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 3-ethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 3-carbethoxy-4-triflyloxy-benzoic acid Formula: C11H9F3O7S MolecularWeight: 342.24517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C(=O)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C(=O)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H9F3O7S/c1-2-20-10(17)7-5-6(9(15)16)3-4-8(7)21-22(18,19)11(12,13)14/h3-5H,2H2,1H3,(H,15,16)