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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClO3/c1-12-8-13(2)10-16(9-12)25-18(23)6-5-7-24-17-11-14(3)20(22)15(4)19(17)21/h8-11H,5-7H2,1-4H3