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

Systemtic Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]hexanoate Openeye Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]hexanoate CAS Name: sodium 2-[3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodophenoxy]hexanoate IUPAC Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodophenoxy]hexanoate Traditional Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]hexanoate Formula: C15H17I3NNaO5 MolecularWeight: 695.00236

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO5.Na/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);/q;+1/p-1