5-acetamido-2,4,6-tris(iodanyl)-N1,N3-bis(1-oxidanylpropyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-acetamido-2,4,6-tris(iodanyl)-N1,N3-bis(1-oxidanylpropyl)benzene-1,3-dicarboxamide Openeye Name: 5-acetamido-N1,N3-bis(1-hydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-acetamido-N1,N3-bis(1-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-acetamido-1-N,3-N-bis(1-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-acetamido-N,N'-bis(1-hydroxypropyl)-2,4,6-triiodo-isophthalamide Formula: C16H20I3N3O5 MolecularWeight: 715.06051

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)NC(CC)O)I)O

Isomeric SMILES

CCC(NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)NC(CC)O)I)O

InChI

InChI=1S/C16H20I3N3O5/c1-4-7(24)21-15(26)9-11(17)10(16(27)22-8(25)5-2)13(19)14(12(9)18)20-6(3)23/h7-8,24-25H,4-5H2,1-3H3,(H,20,23)(H,21,26)(H,22,27)