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

Systemtic Name: 3-[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-1-benzofuran-2-yl]propanoic acid Openeye Name: 3-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]propanoic acid CAS Name: 3-[3-[(4-hydroxy-3,5-diiodophenyl)-oxomethyl]-2-benzofuranyl]propanoic acid IUPAC Name: 3-[3-(4-hydroxy-3,5-diiodobenzoyl)-1-benzofuran-2-yl]propanoic acid Traditional Name: 3-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]propionic acid Formula: C18H12I2O5 MolecularWeight: 562.09382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)CCC(=O)O)C(=O)C3=CC(=C(C(=C3)I)O)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)CCC(=O)O)C(=O)C3=CC(=C(C(=C3)I)O)I

InChI

InChI=1S/C18H12I2O5/c19-11-7-9(8-12(20)18(11)24)17(23)16-10-3-1-2-4-13(10)25-14(16)5-6-15(21)22/h1-4,7-8,24H,5-6H2,(H,21,22)