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

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

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCCO)I

Isomeric SMILES

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCCO)I

InChI

InChI=1S/C14H15I3N2O6/c1-25-5-6(21)19-12-10(16)7(13(22)18-3-2-4-20)9(15)8(11(12)17)14(23)24/h20H,2-5H2,1H3,(H,18,22)(H,19,21)(H,23,24)