(4-tert-butylphenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (4-tert-butylphenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (4-tert-butylphenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (4-tert-butylphenyl) ester Formula: C25H25BrO3 MolecularWeight: 453.3682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrO3/c1-25(2,3)20-10-12-21(13-11-20)29-24(27)19-9-14-23(22(26)17-19)28-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3