2-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]acetic acid CAS Name: 2-[2,6-dibromo-4-[(2-butyl-3-benzofuranyl)methyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-dibromo-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid Traditional Name: 2-[2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]acetic acid Formula: C21H20Br2O4 MolecularWeight: 496.1891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)Br)OCC(=O)O)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)Br)OCC(=O)O)Br

InChI

InChI=1S/C21H20Br2O4/c1-2-3-7-19-15(14-6-4-5-8-18(14)27-19)9-13-10-16(22)21(17(23)11-13)26-12-20(24)25/h4-6,8,10-11H,2-3,7,9,12H2,1H3,(H,24,25)