(4-tert-butyl-2-methyl-phenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C26H27BrO3 MolecularWeight: 467.39478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

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