(phenylmethyl) 5-[diethoxyphosphoryl-bis(fluoranyl)methyl]-2-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: (phenylmethyl) 5-[diethoxyphosphoryl-bis(fluoranyl)methyl]-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: benzyl 5-[diethoxyphosphoryl(difluoro)methyl]-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 5-[diethoxyphosphoryl(difluoro)methyl]-2-(trifluoromethylsulfonyloxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[diethoxyphosphoryl(difluoro)methyl]-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 5-[diethoxyphosphoryl(difluoro)methyl]-2-triflyloxy-benzoic acid benzyl ester Formula: C20H20F5O8PS MolecularWeight: 546.398777

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2)(F)F)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2)(F)F)OCC

InChI

InChI=1S/C20H20F5O8PS/c1-3-31-34(27,32-4-2)19(21,22)15-10-11-17(33-35(28,29)20(23,24)25)16(12-15)18(26)30-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3