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

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H31F3O5 MolecularWeight: 504.53795

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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)OC(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31F3O5/c1-6-7-8-9-10-19-14-21-23(15-22(19)36-27(33)16(2)3)35-26(28(29,30)31)25(24(21)32)34-20-12-17(4)11-18(5)13-20/h11-16H,6-10H2,1-5H3