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

Systemtic Name: (3-methylphenyl) 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: m-tolyl 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid m-tolyl ester Formula: C19H20BrClO3 MolecularWeight: 411.7173

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClO3/c1-12-6-4-7-15(10-12)24-17(22)8-5-9-23-16-11-13(2)19(21)14(3)18(16)20/h4,6-7,10-11H,5,8-9H2,1-3H3