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

Systemtic Name: bis(6-ethoxy-6-oxidanylidene-hexyl) 5-acetamido-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate Openeye Name: bis(6-ethoxy-6-oxo-hexyl) 5-acetamido-2,4,6-triiodo-benzene-1,3-dicarboxylate CAS Name: 5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxylic acid bis(6-ethoxy-6-oxohexyl) ester IUPAC Name: bis(6-ethoxy-6-oxohexyl) 5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxylate Traditional Name: 5-acetamido-2,4,6-triiodo-benzene-1,3-dicarboxylic acid bis(6-ethoxy-6-keto-hexyl) ester Formula: C26H34I3NO9 MolecularWeight: 885.26287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCCCCCC(=O)OCC)I

Isomeric SMILES

CCOC(=O)CCCCCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCCCCCC(=O)OCC)I

InChI

InChI=1S/C26H34I3NO9/c1-4-36-17(32)12-8-6-10-14-38-25(34)19-21(27)20(23(29)24(22(19)28)30-16(3)31)26(35)39-15-11-7-9-13-18(33)37-5-2/h4-15H2,1-3H3,(H,30,31)