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

Systemtic Name: 3,5-bis(2-hydroxyethyl)-N1,4,6-tris(iodanyl)benzene-1,2-dicarboxamide Openeye Name: 3,5-bis(2-hydroxyethyl)-N1,4,6-triiodo-phthalamide CAS Name: 3,5-bis(2-hydroxyethyl)-N1,4,6-triiodobenzene-1,2-dicarboxamide IUPAC Name: 3,5-bis(2-hydroxyethyl)-1-N,4,6-triiodobenzene-1,2-dicarboxamide Traditional Name: 3,5-bis(2-hydroxyethyl)-N,4,6-triiodo-phthalamide Formula: C12H13I3N2O4 MolecularWeight: 629.95603

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)C1=C(C(=C(C(=C1C(=O)N)C(=O)NI)I)CCO)I

Isomeric SMILES

C(CO)C1=C(C(=C(C(=C1C(=O)N)C(=O)NI)I)CCO)I

InChI

InChI=1S/C12H13I3N2O4/c13-9-5(1-3-18)7(11(16)20)8(12(21)17-15)10(14)6(9)2-4-19/h18-19H,1-4H2,(H2,16,20)(H,17,21)