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

Systemtic Name: 3-(3,3-dimethyl-5-propanoyl-2H-1-benzofuran-7-yl)-4-(trifluoromethyloxy)benzaldehyde Openeye Name: 3-(3,3-dimethyl-5-propanoyl-2H-benzofuran-7-yl)-4-(trifluoromethoxy)benzaldehyde CAS Name: 3-[3,3-dimethyl-5-(1-oxopropyl)-2H-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde IUPAC Name: 3-(3,3-dimethyl-5-propanoyl-2H-1-benzofuran-7-yl)-4-(trifluoromethoxy)benzaldehyde Traditional Name: 3-(3,3-dimethyl-5-propionyl-coumaran-7-yl)-4-(trifluoromethoxy)benzaldehyde Formula: C21H19F3O4 MolecularWeight: 392.36837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3O4/c1-4-17(26)13-8-15(19-16(9-13)20(2,3)11-27-19)14-7-12(10-25)5-6-18(14)28-21(22,23)24/h5-10H,4,11H2,1-3H3