ethyl 4-methyl-2-phenyl-6-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: ethyl 4-methyl-2-phenyl-6-(trifluoromethylsulfonyloxy)benzoate Openeye Name: ethyl 4-methyl-2-phenyl-6-(trifluoromethylsulfonyloxy)benzoate CAS Name: 4-methyl-2-phenyl-6-(trifluoromethylsulfonyloxy)benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-phenyl-6-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 4-methyl-2-phenyl-6-triflyloxy-benzoic acid ethyl ester Formula: C17H15F3O5S MolecularWeight: 388.35821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1C2=CC=CC=C2)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1C2=CC=CC=C2)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H15F3O5S/c1-3-24-16(21)15-13(12-7-5-4-6-8-12)9-11(2)10-14(15)25-26(22,23)17(18,19)20/h4-10H,3H2,1-2H3