methyl 4-propan-2-yl-3-[2,2,2-tris(fluoranyl)ethanoyl]benzoate

Systemtic Name: methyl 4-propan-2-yl-3-[2,2,2-tris(fluoranyl)ethanoyl]benzoate Openeye Name: methyl 4-isopropyl-3-(2,2,2-trifluoroacetyl)benzoate CAS Name: 4-propan-2-yl-3-(2,2,2-trifluoro-1-oxoethyl)benzoic acid methyl ester IUPAC Name: methyl 4-propan-2-yl-3-(2,2,2-trifluoroacetyl)benzoate Traditional Name: 4-isopropyl-3-(2,2,2-trifluoroacetyl)benzoic acid methyl ester Formula: C13H13F3O3 MolecularWeight: 274.23573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3O3/c1-7(2)9-5-4-8(12(18)19-3)6-10(9)11(17)13(14,15)16/h4-7H,1-3H3