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

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

C1=C(C(=C(C(=C1I)OCCCC(=O)O)I)C(=O)NCCO)I

Isomeric SMILES

C1=C(C(=C(C(=C1I)OCCCC(=O)O)I)C(=O)NCCO)I

InChI

InChI=1S/C13H14I3NO5/c14-7-6-8(15)12(22-5-1-2-9(19)20)11(16)10(7)13(21)17-3-4-18/h6,18H,1-5H2,(H,17,21)(H,19,20)