4-(5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanal

Systemtic Name: 4-(5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanal Openeye Name: 4-(5-chloro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal CAS Name: 4-(5-chloro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal IUPAC Name: 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal Traditional Name: 4-(5-chlorocoumaran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeraldehyde Formula: C15H16ClF3O3 MolecularWeight: 336.73395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C=O)(C(F)(F)F)O)C1=C2C(=CC(=C1)Cl)CCO2

Isomeric SMILES

CC(C)(CC(C=O)(C(F)(F)F)O)C1=C2C(=CC(=C1)Cl)CCO2

InChI

InChI=1S/C15H16ClF3O3/c1-13(2,7-14(21,8-20)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,8,21H,3-4,7H2,1-2H3