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

Systemtic Name: bis(1-ethoxy-1-oxidanylidene-pentan-2-yl) 5-acetamido-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate Openeye Name: bis(1-ethoxycarbonylbutyl) 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-oxopentan-2-yl) ester IUPAC Name: bis(1-ethoxy-1-oxopentan-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-carbethoxybutyl) ester Formula: C24H30I3NO9 MolecularWeight: 857.20971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30I3NO9/c1-6-10-13(21(30)34-8-3)36-23(32)15-17(25)16(19(27)20(18(15)26)28-12(5)29)24(33)37-14(11-7-2)22(31)35-9-4/h13-14H,6-11H2,1-5H3,(H,28,29)