[3-(2-chloranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,3-dimethylbutanoate

Systemtic Name: [3-(2-chloranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,3-dimethylbutanoate Openeye Name: [3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [3-(2-chlorophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C22H18ClF3O5 MolecularWeight: 454.82353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Cl

InChI

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