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

Systemtic Name: 4-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]butanoic acid Openeye Name: 4-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]butanoic acid CAS Name: 4-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]butanoic acid IUPAC Name: 4-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]butanoic acid Traditional Name: 4-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]butyric acid Formula: C23H22I2O5 MolecularWeight: 632.22672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22I2O5/c1-2-3-8-19-21(15-7-4-5-9-18(15)30-19)22(28)14-12-16(24)23(17(25)13-14)29-11-6-10-20(26)27/h4-5,7,9,12-13H,2-3,6,8,10-11H2,1H3,(H,26,27)