(2,4-ditert-butylphenyl) 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate

Systemtic Name: (2,4-ditert-butylphenyl) 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate Openeye Name: (2,4-ditert-butylphenyl) 2-(2-bromo-4-chloro-phenoxy)acetate CAS Name: 2-(2-bromo-4-chlorophenoxy)acetic acid (2,4-ditert-butylphenyl) ester IUPAC Name: (2,4-ditert-butylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate Traditional Name: 2-(2-bromo-4-chloro-phenoxy)acetic acid (2,4-ditert-butylphenyl) ester Formula: C22H26BrClO3 MolecularWeight: 453.79704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC(=O)COC2=C(C=C(C=C2)Cl)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC(=O)COC2=C(C=C(C=C2)Cl)Br)C(C)(C)C

InChI

InChI=1S/C22H26BrClO3/c1-21(2,3)14-7-9-18(16(11-14)22(4,5)6)27-20(25)13-26-19-10-8-15(24)12-17(19)23/h7-12H,13H2,1-6H3