3-acetamido-2,4,6-tris(iodanyl)benzoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)benzoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 3-acetamido-2,4,6-triiodo-benzoic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 3-acetamido-2,4,6-triiodobenzoic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 3-acetamido-2,4,6-triiodobenzoic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 3-acetamido-2,4,6-triiodo-benzoic acid; 2-(2-hydroxyethylamino)ethanol Formula: C13H17I3N2O5 MolecularWeight: 661.99789

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I.C(CO)NCCO

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I.C(CO)NCCO

InChI

InChI=1S/C9H6I3NO3.C4H11NO2/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;6-3-1-5-2-4-7/h2H,1H3,(H,13,14)(H,15,16);5-7H,1-4H2