methyl 3-propyl-4-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 3-propyl-4-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 3-propyl-4-(trifluoromethylsulfonyloxy)benzoate CAS Name: 3-propyl-4-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-propyl-4-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 3-propyl-4-triflyloxy-benzoic acid methyl ester Formula: C12H13F3O5S MolecularWeight: 326.28883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3O5S/c1-3-4-8-7-9(11(16)19-2)5-6-10(8)20-21(17,18)12(13,14)15/h5-7H,3-4H2,1-2H3