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

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C23H29BrO3 MolecularWeight: 433.37856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C23H29BrO3/c1-6-23(4,5)18-9-11-20(12-10-18)26-13-7-8-21(25)27-22-16(2)14-19(24)15-17(22)3/h9-12,14-15H,6-8,13H2,1-5H3