N3,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)-5-(2-oxidanylpropanoylamino)benzene-1,3-dicarboxamide

Systemtic Name: N3,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)-5-(2-oxidanylpropanoylamino)benzene-1,3-dicarboxamide Openeye Name: N3,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N3,N3-bis(2,3-dihydroxypropyl)-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 3-N,3-N-bis(2,3-dihydroxypropyl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: N',N'-diglyceryl-2,4,6-triiodo-5-lactamido-isophthalamide Formula: C17H22I3N3O8 MolecularWeight: 777.08529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)N(CC(CO)O)CC(CO)O)I)C(=O)N)I)O

Isomeric SMILES

CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)N(CC(CO)O)CC(CO)O)I)C(=O)N)I)O

InChI

InChI=1S/C17H22I3N3O8/c1-6(26)16(30)22-14-12(19)9(15(21)29)11(18)10(13(14)20)17(31)23(2-7(27)4-24)3-8(28)5-25/h6-8,24-28H,2-5H2,1H3,(H2,21,29)(H,22,30)