2-methylpropyl 2,3,4-tris(fluoranyl)-5-(trifluoromethyl)benzoate

Systemtic Name: 2-methylpropyl 2,3,4-tris(fluoranyl)-5-(trifluoromethyl)benzoate Openeye Name: isobutyl 2,3,4-trifluoro-5-(trifluoromethyl)benzoate CAS Name: 2,3,4-trifluoro-5-(trifluoromethyl)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,3,4-trifluoro-5-(trifluoromethyl)benzoate Traditional Name: 2,3,4-trifluoro-5-(trifluoromethyl)benzoic acid isobutyl ester Formula: C12H10F6O2 MolecularWeight: 300.197019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=C(C(=C1F)F)F)C(F)(F)F

Isomeric SMILES

CC(C)COC(=O)C1=CC(=C(C(=C1F)F)F)C(F)(F)F

InChI

InChI=1S/C12H10F6O2/c1-5(2)4-20-11(19)6-3-7(12(16,17)18)9(14)10(15)8(6)13/h3,5H,4H2,1-2H3