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

Systemtic Name: bis(1-ethoxy-1-oxidanylidene-hexan-2-yl) 5-acetamido-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate Openeye Name: bis(1-ethoxycarbonylpentyl) 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-oxohexan-2-yl) ester IUPAC Name: bis(1-ethoxy-1-oxohexan-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-carbethoxypentyl) ester Formula: C26H34I3NO9 MolecularWeight: 885.26287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC(CCCC)C(=O)OCC)I

Isomeric SMILES

CCCCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC(CCCC)C(=O)OCC)I

InChI

InChI=1S/C26H34I3NO9/c1-6-10-12-15(23(32)36-8-3)38-25(34)17-19(27)18(21(29)22(20(17)28)30-14(5)31)26(35)39-16(13-11-7-2)24(33)37-9-4/h15-16H,6-13H2,1-5H3,(H,30,31)