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

Systemtic Name: dimethyl 2,4,6-tris(iodanyl)-5-(2-oxidanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxylate CAS Name: 5-[(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylate Traditional Name: 5-(glycoloylamino)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C12H10I3NO6 MolecularWeight: 644.92431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10I3NO6/c1-21-11(19)5-7(13)6(12(20)22-2)9(15)10(8(5)14)16-4(18)3-17/h17H,3H2,1-2H3,(H,16,18)