3,5-bis(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3,5-bis(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3,5-bis(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3,5-bis[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3,5-bis(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3,5-bis(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C13H13I3N2O6 MolecularWeight: 673.96553

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I

Isomeric SMILES

C(CO)NC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I

InChI

InChI=1S/C13H13I3N2O6/c14-8-5(11(21)17-1-3-19)9(15)7(13(23)24)10(16)6(8)12(22)18-2-4-20/h19-20H,1-4H2,(H,17,21)(H,18,22)(H,23,24)