(4-tert-butylphenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (4-tert-butylphenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (4-tert-butylphenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-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=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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