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

Systemtic Name: [3-(2-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-(2-bromanyl-4-tert-butyl-phenoxy)butanoate Openeye Name: [3-(2-methoxyphenyl)-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-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H28BrF3O6 MolecularWeight: 633.44963

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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)C4=CC=CC=C4OC)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)C4=CC=CC=C4OC)Br

InChI

InChI=1S/C31H28BrF3O6/c1-30(2,3)18-11-14-24(22(32)16-18)39-15-7-10-26(36)40-19-12-13-21-25(17-19)41-29(31(33,34)35)27(28(21)37)20-8-5-6-9-23(20)38-4/h5-6,8-9,11-14,16-17H,7,10,15H2,1-4H3