sodium 4-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate

Systemtic Name: sodium 4-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate Openeye Name: sodium 4-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoate CAS Name: sodium 4-[3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodophenoxy]butanoate IUPAC Name: sodium 4-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate Traditional Name: sodium 4-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]butyrate Formula: C13H13I3NNaO5 MolecularWeight: 666.9492

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)OCCCC(=O)[O-])I)C(=O)NCCO)I.[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1I)OCCCC(=O)[O-])I)C(=O)NCCO)I.[Na+]

InChI

InChI=1S/C13H14I3NO5.Na/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);/q;+1/p-1