(2-bromanyl-4-phenyl-phenyl) 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) 4-(4-tert-butylphenoxy)butanoate Openeye Name: (2-bromo-4-phenyl-phenyl) 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid (2-bromo-4-phenyl-phenyl) ester Formula: C26H27BrO3 MolecularWeight: 467.39478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrO3/c1-26(2,3)21-12-14-22(15-13-21)29-17-7-10-25(28)30-24-16-11-20(18-23(24)27)19-8-5-4-6-9-19/h4-6,8-9,11-16,18H,7,10,17H2,1-3H3