2-[4-[(2-bromanyl-4-phenyl-phenoxy)methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[(2-bromanyl-4-phenyl-phenoxy)methyl]phenyl]ethanoate Openeye Name: 2-[4-[(2-bromo-4-phenyl-phenoxy)methyl]phenyl]acetate CAS Name: 2-[4-[(2-bromo-4-phenylphenoxy)methyl]phenyl]acetate IUPAC Name: 2-[4-[(2-bromo-4-phenylphenoxy)methyl]phenyl]acetate Traditional Name: 2-[4-[(2-bromo-4-phenyl-phenoxy)methyl]phenyl]acetate Formula: C21H16BrO3- MolecularWeight: 396.25394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)CC(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)CC(=O)[O-])Br

InChI

InChI=1S/C21H17BrO3/c22-19-13-18(17-4-2-1-3-5-17)10-11-20(19)25-14-16-8-6-15(7-9-16)12-21(23)24/h1-11,13H,12,14H2,(H,23,24)/p-1