3-[3,3-dimethyl-5-(2-methylpropanoyl)-2H-1-benzofuran-7-yl]-4-(trifluoromethyloxy)benzaldehyde

Systemtic Name: 3-[3,3-dimethyl-5-(2-methylpropanoyl)-2H-1-benzofuran-7-yl]-4-(trifluoromethyloxy)benzaldehyde Openeye Name: 3-[3,3-dimethyl-5-(2-methylpropanoyl)-2H-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde CAS Name: 3-[3,3-dimethyl-5-(2-methyl-1-oxopropyl)-2H-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde IUPAC Name: 3-[3,3-dimethyl-5-(2-methylpropanoyl)-2H-1-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde Traditional Name: 3-(5-isobutyryl-3,3-dimethyl-coumaran-7-yl)-4-(trifluoromethoxy)benzaldehyde Formula: C22H21F3O4 MolecularWeight: 406.39495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC2=C(C(=C1)C3=C(C=CC(=C3)C=O)OC(F)(F)F)OCC2(C)C

Isomeric SMILES

CC(C)C(=O)C1=CC2=C(C(=C1)C3=C(C=CC(=C3)C=O)OC(F)(F)F)OCC2(C)C

InChI

InChI=1S/C22H21F3O4/c1-12(2)19(27)14-8-16(20-17(9-14)21(3,4)11-28-20)15-7-13(10-26)5-6-18(15)29-22(23,24)25/h5-10,12H,11H2,1-4H3