(2,6-dimethylphenyl) 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: (2,6-dimethylphenyl) 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: (2,6-dimethylphenyl) 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid (2,6-dimethylphenyl) ester Formula: C20H22BrClO3 MolecularWeight: 425.74388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

InChI

InChI=1S/C20H22BrClO3/c1-12-7-5-8-13(2)20(12)25-17(23)9-6-10-24-16-11-14(3)19(22)15(4)18(16)21/h5,7-8,11H,6,9-10H2,1-4H3