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

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,3-dimethylbutanoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H21F3O5 MolecularWeight: 434.40505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)CC(C)(C)C)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)CC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C23H21F3O5/c1-13-6-5-7-14(10-13)30-20-19(28)16-9-8-15(29-18(27)12-22(2,3)4)11-17(16)31-21(20)23(24,25)26/h5-11H,12H2,1-4H3