tert-butyl 2-[3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoate Openeye Name: tert-butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate Traditional Name: 2-[3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid tert-butyl ester Formula: C22H18ClF3O5 MolecularWeight: 454.82353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClF3O5/c1-21(2,3)31-17(27)11-29-14-8-9-15-16(10-14)30-20(22(24,25)26)18(19(15)28)12-4-6-13(23)7-5-12/h4-10H,11H2,1-3H3