[4-(2-methylbutan-2-yl)phenyl] 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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