2,4,6-tris(iodanyl)-3-(2-oxidanylethanoylamino)-5-(2-oxidanylpropylcarbamoyl)benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3-(2-oxidanylethanoylamino)-5-(2-oxidanylpropylcarbamoyl)benzoic acid Openeye Name: 3-[(2-hydroxyacetyl)amino]-5-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-[(2-hydroxy-1-oxoethyl)amino]-5-[(2-hydroxypropylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[(2-hydroxyacetyl)amino]-5-(2-hydroxypropylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-(glycoloylamino)-5-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C13H13I3N2O6 MolecularWeight: 673.96553

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)O)I)O

Isomeric SMILES

CC(CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)O)I)O

InChI

InChI=1S/C13H13I3N2O6/c1-4(20)2-17-12(22)6-8(14)7(13(23)24)10(16)11(9(6)15)18-5(21)3-19/h4,19-20H,2-3H2,1H3,(H,17,22)(H,18,21)(H,23,24)