3-methoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 3-methoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 3-methoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 3-methoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 3-methoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 3-carbomethoxy-4-triflyloxy-benzoic acid Formula: C10H7F3O7S MolecularWeight: 328.21859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3O7S/c1-19-9(16)6-4-5(8(14)15)2-3-7(6)20-21(17,18)10(11,12)13/h2-4H,1H3,(H,14,15)