1-benzofuran-3-yl-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone; ethanoic acid

Systemtic Name: 1-benzofuran-3-yl-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone; ethanoic acid Openeye Name: acetic acid; benzofuran-3-yl-(4-hydroxy-3,5-diiodo-phenyl)methanone CAS Name: acetic acid; 3-benzofuranyl-(4-hydroxy-3,5-diiodophenyl)methanone IUPAC Name: acetic acid; 1-benzofuran-3-yl-(4-hydroxy-3,5-diiodophenyl)methanone Traditional Name: acetic acid; benzofuran-3-yl-(4-hydroxy-3,5-diiodo-phenyl)methanone Formula: C17H12I2O5 MolecularWeight: 550.08312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C(=CO2)C(=O)C3=CC(=C(C(=C3)I)O)I

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C(=CO2)C(=O)C3=CC(=C(C(=C3)I)O)I

InChI

InChI=1S/C15H8I2O3.C2H4O2/c16-11-5-8(6-12(17)15(11)19)14(18)10-7-20-13-4-2-1-3-9(10)13;1-2(3)4/h1-7,19H;1H3,(H,3,4)