dimethyl 2,4,6-tris(iodanyl)-5-(oxiran-2-ylmethoxycarbonylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 2,4,6-tris(iodanyl)-5-(oxiran-2-ylmethoxycarbonylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 2,4,6-triiodo-5-(oxiran-2-ylmethoxycarbonylamino)benzene-1,3-dicarboxylate CAS Name: 2,4,6-triiodo-5-[[2-oxiranylmethoxy(oxo)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,4,6-triiodo-5-(oxiran-2-ylmethoxycarbonylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(glycidoxycarbonylamino)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H12I3NO7 MolecularWeight: 686.96099

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1I)NC(=O)OCC2CO2)I)C(=O)OC)I

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1I)NC(=O)OCC2CO2)I)C(=O)OC)I

InChI

InChI=1S/C14H12I3NO7/c1-22-12(19)6-8(15)7(13(20)23-2)10(17)11(9(6)16)18-14(21)25-4-5-3-24-5/h5H,3-4H2,1-2H3,(H,18,21)