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

Systemtic Name: sodium 2-[2,4,6-tris(iodanyl)-3-morpholin-4-ylcarbonyl-phenoxy]hexanoate Openeye Name: sodium 2-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]hexanoate CAS Name: sodium 2-[2,4,6-triiodo-3-[4-morpholinyl(oxo)methyl]phenoxy]hexanoate IUPAC Name: sodium 2-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]hexanoate Traditional Name: sodium 2-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]hexanoate Formula: C17H19I3NNaO5 MolecularWeight: 721.03964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])OC1=C(C=C(C(=C1I)C(=O)N2CCOCC2)I)I.[Na+]

Isomeric SMILES

CCCCC(C(=O)[O-])OC1=C(C=C(C(=C1I)C(=O)N2CCOCC2)I)I.[Na+]

InChI

InChI=1S/C17H20I3NO5.Na/c1-2-3-4-12(17(23)24)26-15-11(19)9-10(18)13(14(15)20)16(22)21-5-7-25-8-6-21;/h9,12H,2-8H2,1H3,(H,23,24);/q;+1/p-1