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

Systemtic Name: butan-2-yl 2-[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-1-benzofuran-2-yl]ethanoate Openeye Name: sec-butyl 2-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]acetate CAS Name: 2-[3-[(4-hydroxy-3,5-diiodophenyl)-oxomethyl]-2-benzofuranyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-(4-hydroxy-3,5-diiodobenzoyl)-1-benzofuran-2-yl]acetate Traditional Name: 2-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]acetic acid sec-butyl ester Formula: C21H18I2O5 MolecularWeight: 604.17356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I

Isomeric SMILES

CCC(C)OC(=O)CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I

InChI

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