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

Systemtic Name: (4-tert-butylphenyl) 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: (4-tert-butylphenyl) 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid (4-tert-butylphenyl) ester Formula: C22H26BrClO3 MolecularWeight: 453.79704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H26BrClO3/c1-14-13-18(20(23)15(2)21(14)24)26-12-6-7-19(25)27-17-10-8-16(9-11-17)22(3,4)5/h8-11,13H,6-7,12H2,1-5H3