3-acetamido-5-[ethanoyl(2-hydroxyethyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-acetamido-5-[ethanoyl(2-hydroxyethyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodo-benzoic acid Formula: C13H13I3N2O5 MolecularWeight: 657.96613

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(CCO)C(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(CCO)C(=O)C)I

InChI

InChI=1S/C13H13I3N2O5/c1-5(20)17-11-8(14)7(13(22)23)9(15)12(10(11)16)18(3-4-19)6(2)21/h19H,3-4H2,1-2H3,(H,17,20)(H,22,23)