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

Systemtic Name: sodium 4-[2,4,6-tris(iodanyl)-3-morpholin-4-ylcarbonyl-phenoxy]butanoate Openeye Name: sodium 4-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]butanoate CAS Name: sodium 4-[2,4,6-triiodo-3-[4-morpholinyl(oxo)methyl]phenoxy]butanoate IUPAC Name: sodium 4-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]butanoate Traditional Name: sodium 4-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]butyrate Formula: C15H15I3NNaO5 MolecularWeight: 692.98648

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(C(=C(C=C2I)I)OCCCC(=O)[O-])I.[Na+]

Isomeric SMILES

C1COCCN1C(=O)C2=C(C(=C(C=C2I)I)OCCCC(=O)[O-])I.[Na+]

InChI

InChI=1S/C15H16I3NO5.Na/c16-9-8-10(17)14(24-5-1-2-11(20)21)13(18)12(9)15(22)19-3-6-23-7-4-19;/h8H,1-7H2,(H,20,21);/q;+1/p-1