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

Systemtic Name: bis(1-ethoxy-1-oxidanylidene-propan-2-yl) 5-acetamido-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate Openeye Name: bis(2-ethoxy-1-methyl-2-oxo-ethyl) 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-oxopropan-2-yl) ester IUPAC Name: bis(1-ethoxy-1-oxopropan-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(2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C20H22I3NO9 MolecularWeight: 801.10339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC(C)C(=O)OCC)I

Isomeric SMILES

CCOC(=O)C(C)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC(C)C(=O)OCC)I

InChI

InChI=1S/C20H22I3NO9/c1-6-30-17(26)8(3)32-19(28)11-13(21)12(15(23)16(14(11)22)24-10(5)25)20(29)33-9(4)18(27)31-7-2/h8-9H,6-7H2,1-5H3,(H,24,25)