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

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethanoic acid Openeye Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]acetic acid CAS Name: 2-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]acetic acid IUPAC Name: 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]acetic acid Traditional Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]acetic acid Formula: C21H18I2O5 MolecularWeight: 604.17356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC(=O)O)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC(=O)O)I

InChI

InChI=1S/C21H18I2O5/c1-2-3-7-17-19(13-6-4-5-8-16(13)28-17)20(26)12-9-14(22)21(15(23)10-12)27-11-18(24)25/h4-6,8-10H,2-3,7,11H2,1H3,(H,24,25)