methyl 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-methyl-3-oxidanylidene-4,7-dihydro-1H-2-benzofuran-5-carboxylate

Systemtic Name: methyl 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-methyl-3-oxidanylidene-4,7-dihydro-1H-2-benzofuran-5-carboxylate Openeye Name: methyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4,7-dihydro-1H-isobenzofuran-5-carboxylate CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4,7-dihydro-1H-isobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4,7-dihydro-1H-2-benzofuran-5-carboxylate Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-3-keto-6-methyl-4,7-dihydro-1H-isobenzofuran-5-carboxylic acid methyl ester Formula: C18H14ClF3O4 MolecularWeight: 386.74957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(C1)COC2=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(C1)COC2=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H14ClF3O4/c1-8-5-10-7-26-17(24)15(10)14(13(8)16(23)25-2)9-3-4-12(19)11(6-9)18(20,21)22/h3-4,6,14H,5,7H2,1-2H3