[4-(2-methylbutan-2-yl)phenyl] 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (4-tert-amylphenyl) ester Formula: C26H27BrO3 MolecularWeight: 467.39478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrO3/c1-4-26(2,3)20-10-13-22(14-11-20)30-25(28)23-18-21(27)12-15-24(23)29-17-16-19-8-6-5-7-9-19/h5-15,18H,4,16-17H2,1-3H3