methyl 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate

Systemtic Name: methyl 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate Openeye Name: methyl 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate CAS Name: 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoic acid methyl ester IUPAC Name: methyl 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate Traditional Name: 4-phenyl-2-triflyloxy-butyric acid methyl ester Formula: C12H13F3O5S MolecularWeight: 326.28883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3O5S/c1-19-11(16)10(20-21(17,18)12(13,14)15)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3