[4-(2-methylbutan-2-yl)phenyl] 2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 2-(4-bromo-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)acetic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 2-(4-bromo-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)acetic acid (4-tert-amylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)COC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H25BrO3/c1-6-21(4,5)16-7-9-18(10-8-16)25-19(23)13-24-20-14(2)11-17(22)12-15(20)3/h7-12H,6,13H2,1-5H3