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

Systemtic Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoic acid Openeye Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoic acid CAS Name: 2-[3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodophenoxy]butanoic acid IUPAC Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodophenoxy]butanoic acid Traditional Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]butyric acid Formula: C13H14I3NO5 MolecularWeight: 644.96737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14I3NO5/c1-2-8(13(20)21)22-11-7(15)5-6(14)9(10(11)16)12(19)17-3-4-18/h5,8,18H,2-4H2,1H3,(H,17,19)(H,20,21)