[1-acetyloxy-1-[3,5-diaminocarbonyl-2,4,6-tris(iodanyl)phenyl]propyl] ethanoate

Systemtic Name: [1-acetyloxy-1-[3,5-diaminocarbonyl-2,4,6-tris(iodanyl)phenyl]propyl] ethanoate Openeye Name: [1-acetoxy-1-(3,5-dicarbamoyl-2,4,6-triiodo-phenyl)propyl] acetate CAS Name: acetic acid [1-acetyloxy-1-(3,5-dicarbamoyl-2,4,6-triiodophenyl)propyl] ester IUPAC Name: [1-acetyloxy-1-(3,5-dicarbamoyl-2,4,6-triiodophenyl)propyl] acetate Traditional Name: acetic acid [1-acetoxy-1-(3,5-dicarbamoyl-2,4,6-triiodo-phenyl)propyl] ester Formula: C15H15I3N2O6 MolecularWeight: 700.00281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)N)I)(OC(=O)C)OC(=O)C

Isomeric SMILES

CCC(C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)N)I)(OC(=O)C)OC(=O)C

InChI

InChI=1S/C15H15I3N2O6/c1-4-15(25-5(2)21,26-6(3)22)9-11(17)7(13(19)23)10(16)8(12(9)18)14(20)24/h4H2,1-3H3,(H2,19,23)(H2,20,24)