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

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] pentanoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] pentanoate CAS Name: pentanoic acid [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] pentanoate Traditional Name: valeric acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H21F3O5 MolecularWeight: 434.40505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3O5/c1-4-5-6-19(27)29-15-7-8-17-18(12-15)31-22(23(24,25)26)21(20(17)28)30-16-10-13(2)9-14(3)11-16/h7-12H,4-6H2,1-3H3