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

Systemtic Name: ethyl 4-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]butanoate Openeye Name: ethyl 4-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]butanoate CAS Name: 4-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]butanoate Traditional Name: 4-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]butyric acid ethyl ester Formula: C25H26I2O5 MolecularWeight: 660.27988

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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)OCC)I

Isomeric SMILES

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

InChI

InChI=1S/C25H26I2O5/c1-3-5-10-21-23(17-9-6-7-11-20(17)32-21)24(29)16-14-18(26)25(19(27)15-16)31-13-8-12-22(28)30-4-2/h6-7,9,11,14-15H,3-5,8,10,12-13H2,1-2H3