3-acetamido-5-(1-ethoxy-1-oxidanylidene-butan-2-yl)oxycarbonyl-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 3-acetamido-5-(1-ethoxy-1-oxidanylidene-butan-2-yl)oxycarbonyl-2,4,6-tris(iodanyl)benzoate Openeye Name: 3-acetamido-5-(1-ethoxycarbonylpropoxycarbonyl)-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[(1-ethoxy-1-oxobutan-2-yl)oxy-oxomethyl]-2,4,6-triiodobenzoate IUPAC Name: 3-acetamido-5-(1-ethoxy-1-oxobutan-2-yl)oxycarbonyl-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-(1-carbethoxypropoxycarbonyl)-2,4,6-triiodo-benzoate Formula: C16H15I3NO7- MolecularWeight: 714.00621

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I

Isomeric SMILES

CCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I

InChI

InChI=1S/C16H16I3NO7/c1-4-7(15(24)26-5-2)27-16(25)9-10(17)8(14(22)23)11(18)13(12(9)19)20-6(3)21/h7H,4-5H2,1-3H3,(H,20,21)(H,22,23)/p-1