[4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-(2-bromanyl-4-tert-butyl-phenoxy)butanoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-(2-bromanyl-4-tert-butyl-phenoxy)butanoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-(2-bromo-4-tert-butyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-tert-butylphenoxy)butanoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-(2-bromo-4-tert-butylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)butyric acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C33H32BrF3O6 MolecularWeight: 661.50279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)C(C)(C)C)Br)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)C(C)(C)C)Br)C(F)(F)F

InChI

InChI=1S/C33H32BrF3O6/c1-19(2)22-9-6-7-10-25(22)42-30-29(39)23-14-13-21(18-27(23)43-31(30)33(35,36)37)41-28(38)11-8-16-40-26-15-12-20(17-24(26)34)32(3,4)5/h6-7,9-10,12-15,17-19H,8,11,16H2,1-5H3