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

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

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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.[Na+]

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C=C(C(=C1I)C(=O)NCCO)I)I.[Na+]

InChI

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