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

Systemtic Name: N3,N3-bis[2,3-bis(oxidanyl)propyl]-5-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethoxy]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: N3,N3-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxo-ethoxy]-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N3,N3-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 3-N,3-N-bis(2,3-dihydroxypropyl)-5-[2-(2-hydroxyethylamino)-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: N',N'-diglyceryl-5-[2-(2-hydroxyethylamino)-2-keto-ethoxy]-2,4,6-triiodo-isophthalamide Formula: C18H24I3N3O9 MolecularWeight: 807.11127

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC(=O)COC1=C(C(=C(C(=C1I)C(=O)N(CC(CO)O)CC(CO)O)I)C(=O)N)I

Isomeric SMILES

C(CO)NC(=O)COC1=C(C(=C(C(=C1I)C(=O)N(CC(CO)O)CC(CO)O)I)C(=O)N)I

InChI

InChI=1S/C18H24I3N3O9/c19-13-11(17(22)31)14(20)16(33-7-10(30)23-1-2-25)15(21)12(13)18(32)24(3-8(28)5-26)4-9(29)6-27/h8-9,25-29H,1-7H2,(H2,22,31)(H,23,30)