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

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic 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] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C37H33F3O5 MolecularWeight: 614.65013

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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)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H33F3O5/c1-4-5-6-8-13-28-21-30-32(22-31(28)45-36(42)27-16-14-26(15-17-27)25-11-9-7-10-12-25)44-35(37(38,39)40)34(33(30)41)43-29-19-23(2)18-24(3)20-29/h7,9-12,14-22H,4-6,8,13H2,1-3H3