4-[[2-bromanyl-6-(phenylmethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-6-(phenylmethyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[(2-benzyl-6-bromo-phenoxy)methyl]benzoic acid CAS Name: 4-[[2-bromo-6-(phenylmethyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[(2-benzyl-6-bromophenoxy)methyl]benzoic acid Traditional Name: 4-[(2-benzyl-6-bromo-phenoxy)methyl]benzoic acid Formula: C21H17BrO3 MolecularWeight: 397.26188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=CC=C2)Br)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC=C2)Br)OCC3=CC=C(C=C3)C(=O)O

InChI

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