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

Systemtic Name: 4-[(2-bromanyl-6-phenethyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(2-bromo-6-phenethyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(2-bromo-6-phenethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(2-bromo-6-phenethylphenoxy)methyl]benzoic acid Traditional Name: 4-[(2-bromo-6-phenethyl-phenoxy)methyl]benzoic acid Formula: C22H19BrO3 MolecularWeight: 411.28846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=CC=C2)Br)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=CC=C2)Br)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H19BrO3/c23-20-8-4-7-18(12-9-16-5-2-1-3-6-16)21(20)26-15-17-10-13-19(14-11-17)22(24)25/h1-8,10-11,13-14H,9,12,15H2,(H,24,25)