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

Systemtic Name: [3-(4-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-(2-bromanyl-4-tert-butyl-phenoxy)butanoate Openeye Name: [3-(4-methoxyphenoxy)-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 [3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-(2-bromo-4-tert-butylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)butyric acid [4-keto-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H28BrF3O7 MolecularWeight: 649.44903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=C(C=C4)OC)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=C(C=C4)OC)Br

InChI

InChI=1S/C31H28BrF3O7/c1-30(2,3)18-7-14-24(23(32)16-18)39-15-5-6-26(36)40-21-12-13-22-25(17-21)42-29(31(33,34)35)28(27(22)37)41-20-10-8-19(38-4)9-11-20/h7-14,16-17H,5-6,15H2,1-4H3