2-bromanyl-3,4,5-tris(phenylmethoxy)benzoic acid

Systemtic Name: 2-bromanyl-3,4,5-tris(phenylmethoxy)benzoic acid Openeye Name: 3,4,5-tribenzyloxy-2-bromo-benzoic acid CAS Name: 2-bromo-3,4,5-tris(phenylmethoxy)benzoic acid IUPAC Name: 2-bromo-3,4,5-tris(phenylmethoxy)benzoic acid Traditional Name: 3,4,5-tribenzoxy-2-bromo-benzoic acid Formula: C28H23BrO5 MolecularWeight: 519.38322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C(=O)O)Br)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C(=O)O)Br)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H23BrO5/c29-25-23(28(30)31)16-24(32-17-20-10-4-1-5-11-20)26(33-18-21-12-6-2-7-13-21)27(25)34-19-22-14-8-3-9-15-22/h1-16H,17-19H2,(H,30,31)