butyl 3-[2-(5-iodanyl-1-benzofuran-2-yl)-2-oxidanyl-ethoxy]benzoate

Systemtic Name: butyl 3-[2-(5-iodanyl-1-benzofuran-2-yl)-2-oxidanyl-ethoxy]benzoate Openeye Name: butyl 3-[2-hydroxy-2-(5-iodobenzofuran-2-yl)ethoxy]benzoate CAS Name: 3-[2-hydroxy-2-(5-iodo-2-benzofuranyl)ethoxy]benzoic acid butyl ester IUPAC Name: butyl 3-[2-hydroxy-2-(5-iodo-1-benzofuran-2-yl)ethoxy]benzoate Traditional Name: 3-[2-hydroxy-2-(5-iodobenzofuran-2-yl)ethoxy]benzoic acid butyl ester Formula: C21H21IO5 MolecularWeight: 480.29291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)OCC(C2=CC3=C(O2)C=CC(=C3)I)O

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)OCC(C2=CC3=C(O2)C=CC(=C3)I)O

InChI

InChI=1S/C21H21IO5/c1-2-3-9-25-21(24)14-5-4-6-17(11-14)26-13-18(23)20-12-15-10-16(22)7-8-19(15)27-20/h4-8,10-12,18,23H,2-3,9,13H2,1H3