3-phenylmethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 3-phenylmethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 3-benzyloxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 3-phenylmethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 3-phenylmethoxycarbonyl-4-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 3-carbobenzoxy-4-triflyloxy-benzoic acid Formula: C16H11F3O7S MolecularWeight: 404.31455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)C(=O)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)C(=O)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H11F3O7S/c17-16(18,19)27(23,24)26-13-7-6-11(14(20)21)8-12(13)15(22)25-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)