[3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(2-bromanyl-4-chloranyl-phenoxy)butanoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(2-bromanyl-4-chloranyl-phenoxy)butanoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 4-(2-bromo-4-chloro-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chlorophenoxy)butanoic acid [3-(2,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-(2-bromo-4-chlorophenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-phenoxy)butyric acid [3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C27H22BrClO6 MolecularWeight: 557.81698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Cl)Br

InChI

InChI=1S/C27H22BrClO6/c1-16-5-6-17(2)23(12-16)35-25-15-33-24-14-19(8-9-20(24)27(25)31)34-26(30)4-3-11-32-22-10-7-18(29)13-21(22)28/h5-10,12-15H,3-4,11H2,1-2H3