methyl 3-methoxy-5-prop-2-enyl-2-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 3-methoxy-5-prop-2-enyl-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 5-allyl-3-methoxy-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 3-methoxy-5-prop-2-enyl-2-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-5-prop-2-enyl-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 5-allyl-3-methoxy-2-triflyloxy-benzoic acid methyl ester Formula: C13H13F3O6S MolecularWeight: 354.29893

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC=C)C(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C(=CC(=C1)CC=C)C(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H13F3O6S/c1-4-5-8-6-9(12(17)21-3)11(10(7-8)20-2)22-23(18,19)13(14,15)16/h4,6-7H,1,5H2,2-3H3