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

Systemtic Name: (2-propan-2-ylphenyl) 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: (2-isopropylphenyl) 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid o-cumenyl ester Formula: C21H24BrClO3 MolecularWeight: 439.77046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=CC=CC=C2C(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=CC=CC=C2C(C)C

InChI

InChI=1S/C21H24BrClO3/c1-13(2)16-8-5-6-9-17(16)26-19(24)10-7-11-25-18-12-14(3)21(23)15(4)20(18)22/h5-6,8-9,12-13H,7,10-11H2,1-4H3