(4-phenylphenyl) 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: (4-phenylphenyl) 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: (4-phenylphenyl) 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid (4-phenylphenyl) ester Formula: C25H25BrO3 MolecularWeight: 453.3682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrO3/c1-18(2)21-12-15-24(23(26)17-21)28-16-6-9-25(27)29-22-13-10-20(11-14-22)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18H,6,9,16H2,1-2H3