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

Systemtic Name: 2,4,6-tris(iodanyl)-3-(2-methoxyethanoylamino)-5-(2-oxidanylpropylcarbamoyl)benzoic acid Openeye Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid CAS Name: 3-[(2-hydroxypropylamino)-oxomethyl]-2,4,6-triiodo-5-[(2-methoxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Traditional Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Formula: C14H15I3N2O6 MolecularWeight: 687.99211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15I3N2O6/c1-5(20)3-18-13(22)7-9(15)8(14(23)24)11(17)12(10(7)16)19-6(21)4-25-2/h5,20H,3-4H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)