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

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H17F3O5 MolecularWeight: 406.35189

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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)C(C)C)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3O5/c1-11(2)20(26)28-14-7-8-15-16(10-14)29-19(21(22,23)24)18(17(15)25)27-13-6-4-5-12(3)9-13/h4-11H,1-3H3