bis(1-ethoxy-1-oxidanylidene-butan-2-yl) 5-acetamido-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(1-ethoxy-1-oxidanylidene-butan-2-yl) 5-acetamido-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate Openeye Name: bis(1-ethoxycarbonylpropyl) 5-acetamido-2,4,6-triiodo-benzene-1,3-dicarboxylate CAS Name: 5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxylic acid bis(1-ethoxy-1-oxobutan-2-yl) ester IUPAC Name: bis(1-ethoxy-1-oxobutan-2-yl) 5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxylate Traditional Name: 5-acetamido-2,4,6-triiodo-benzene-1,3-dicarboxylic acid bis(1-carbethoxypropyl) ester Formula: C22H26I3NO9 MolecularWeight: 829.15655

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC(CC)C(=O)OCC)I

Isomeric SMILES

CCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC(CC)C(=O)OCC)I

InChI

InChI=1S/C22H26I3NO9/c1-6-11(19(28)32-8-3)34-21(30)13-15(23)14(17(25)18(16(13)24)26-10(5)27)22(31)35-12(7-2)20(29)33-9-4/h11-12H,6-9H2,1-5H3,(H,26,27)