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

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic 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-ethylbutanoate Traditional Name: 2-ethylbutyric 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:

CCC(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC(=C3)C

Isomeric SMILES

CCC(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC(=C3)C

InChI

InChI=1S/C23H21F3O5/c1-4-14(5-2)22(28)30-16-9-10-17-18(12-16)31-21(23(24,25)26)20(19(17)27)29-15-8-6-7-13(3)11-15/h6-12,14H,4-5H2,1-3H3