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

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-phenethylbenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic 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] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C33H25F3O5 MolecularWeight: 558.54381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4CCC5=CC=CC=C5)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4CCC5=CC=CC=C5)C(F)(F)F)C

InChI

InChI=1S/C33H25F3O5/c1-20-16-21(2)18-25(17-20)39-30-29(37)27-15-14-24(19-28(27)41-31(30)33(34,35)36)40-32(38)26-11-7-6-10-23(26)13-12-22-8-4-3-5-9-22/h3-11,14-19H,12-13H2,1-2H3