ethyl 2-[3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoate

Systemtic Name: ethyl 2-[3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoate Openeye Name: ethyl 2-[3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,5-dimethylphenoxy)-6-hexyl-4-keto-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid ethyl ester Formula: C28H31F3O6 MolecularWeight: 520.53735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)OCC(=O)OCC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)OCC(=O)OCC

InChI

InChI=1S/C28H31F3O6/c1-5-7-8-9-10-19-14-21-23(15-22(19)35-16-24(32)34-6-2)37-27(28(29,30)31)26(25(21)33)36-20-12-17(3)11-18(4)13-20/h11-15H,5-10,16H2,1-4H3