2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]hexanoic acid

Systemtic Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]hexanoic acid Openeye Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]hexanoic acid CAS Name: 2-[3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodophenoxy]hexanoic acid IUPAC Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodophenoxy]hexanoic acid Traditional Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]hexanoic acid Formula: C15H18I3NO5 MolecularWeight: 673.02053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)NCCO)I)I

Isomeric SMILES

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)NCCO)I)I

InChI

InChI=1S/C15H18I3NO5/c1-2-3-4-10(15(22)23)24-13-9(17)7-8(16)11(12(13)18)14(21)19-5-6-20/h7,10,20H,2-6H2,1H3,(H,19,21)(H,22,23)