N1,N3-bis[2,3-bis(oxidanyl)propyl]-5-[ethanoyl-(3-methoxy-2-oxidanyl-propyl)amino]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[2,3-bis(oxidanyl)propyl]-5-[ethanoyl-(3-methoxy-2-oxidanyl-propyl)amino]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[acetyl-(2-hydroxy-3-methoxy-propyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[acetyl-(2-hydroxy-3-methoxy-propyl)amino]-N,N'-diglyceryl-2,4,6-triiodo-isophthalamide Formula: C20H28I3N3O9 MolecularWeight: 835.16443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

Isomeric SMILES

CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

InChI

InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)