butan-2-yl 3-[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-1-benzofuran-2-yl]propanoate

Systemtic Name: butan-2-yl 3-[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-1-benzofuran-2-yl]propanoate Openeye Name: sec-butyl 3-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]propanoate CAS Name: 3-[3-[(4-hydroxy-3,5-diiodophenyl)-oxomethyl]-2-benzofuranyl]propanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-[3-(4-hydroxy-3,5-diiodobenzoyl)-1-benzofuran-2-yl]propanoate Traditional Name: 3-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]propionic acid sec-butyl ester Formula: C22H20I2O5 MolecularWeight: 618.20014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I

Isomeric SMILES

CCC(C)OC(=O)CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I

InChI

InChI=1S/C22H20I2O5/c1-3-12(2)28-19(25)9-8-18-20(14-6-4-5-7-17(14)29-18)21(26)13-10-15(23)22(27)16(24)11-13/h4-7,10-12,27H,3,8-9H2,1-2H3