[3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H23F3O5 MolecularWeight: 448.43163

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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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H23F3O5/c1-5-15(6-2)23(29)30-16-9-10-17-19(12-16)32-22(24(25,26)27)21(20(17)28)31-18-11-13(3)7-8-14(18)4/h7-12,15H,5-6H2,1-4H3