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

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

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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)CCCOC4=C(C=C(C=C4)C(C)(C)C)Br)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=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/C31H28BrF3O6/c1-18-7-5-8-20(15-18)40-28-27(37)22-12-11-21(17-25(22)41-29(28)31(33,34)35)39-26(36)9-6-14-38-24-13-10-19(16-23(24)32)30(2,3)4/h5,7-8,10-13,15-17H,6,9,14H2,1-4H3