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

Systemtic Name: [3-[3,5-bis(iodanyl)-4-methyl-phenyl]carbonyl-1-benzofuran-2-yl] ethanoate Openeye Name: [3-(3,5-diiodo-4-methyl-benzoyl)benzofuran-2-yl] acetate CAS Name: acetic acid [3-[(3,5-diiodo-4-methylphenyl)-oxomethyl]-2-benzofuranyl] ester IUPAC Name: [3-(3,5-diiodo-4-methylbenzoyl)-1-benzofuran-2-yl] acetate Traditional Name: acetic acid [3-(3,5-diiodo-4-methyl-benzoyl)benzofuran-2-yl] ester Formula: C18H12I2O4 MolecularWeight: 546.09442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)OC(=O)C)I

Isomeric SMILES

CC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)OC(=O)C)I

InChI

InChI=1S/C18H12I2O4/c1-9-13(19)7-11(8-14(9)20)17(22)16-12-5-3-4-6-15(12)24-18(16)23-10(2)21/h3-8H,1-2H3