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

Systemtic Name: 2,4,6-tris(iodanyl)-3-(2-oxidanylpropylcarbamoyl)-5-(propanoylamino)benzoic acid Openeye Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-(propanoylamino)benzoic acid CAS Name: 3-[(2-hydroxypropylamino)-oxomethyl]-2,4,6-triiodo-5-(1-oxopropylamino)benzoic acid IUPAC Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-(propanoylamino)benzoic acid Traditional Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-propionamido-benzoic acid Formula: C14H15I3N2O5 MolecularWeight: 671.99271

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(C)O)I

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(C)O)I

InChI

InChI=1S/C14H15I3N2O5/c1-3-6(21)19-12-10(16)7(13(22)18-4-5(2)20)9(15)8(11(12)17)14(23)24/h5,20H,3-4H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)