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

Systemtic Name: [4-(4-methylphenyl)phenyl] 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: [4-(p-tolyl)phenyl] 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid [4-(4-methylphenyl)phenyl] ester IUPAC Name: [4-(4-methylphenyl)phenyl] 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid [4-(p-tolyl)phenyl] ester Formula: C25H24BrClO3 MolecularWeight: 487.81326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCOC3=C(C(=C(C(=C3)C)Cl)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCOC3=C(C(=C(C(=C3)C)Cl)C)Br

InChI

InChI=1S/C25H24BrClO3/c1-16-6-8-19(9-7-16)20-10-12-21(13-11-20)30-23(28)5-4-14-29-22-15-17(2)25(27)18(3)24(22)26/h6-13,15H,4-5,14H2,1-3H3