2-[2,4,6-tris(iodanyl)-3-(3-oxidanylidenemorpholin-4-yl)phenyl]butanoic acid

Systemtic Name: 2-[2,4,6-tris(iodanyl)-3-(3-oxidanylidenemorpholin-4-yl)phenyl]butanoic acid Openeye Name: 2-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]butanoic acid CAS Name: 2-[2,4,6-triiodo-3-(3-oxo-4-morpholinyl)phenyl]butanoic acid IUPAC Name: 2-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]butanoic acid Traditional Name: 2-[2,4,6-triiodo-3-(3-ketomorpholino)phenyl]butyric acid Formula: C14H14I3NO4 MolecularWeight: 640.97867

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1I)I)N2CCOCC2=O)I)C(=O)O

Isomeric SMILES

CCC(C1=C(C(=C(C=C1I)I)N2CCOCC2=O)I)C(=O)O

InChI

InChI=1S/C14H14I3NO4/c1-2-7(14(20)21)11-8(15)5-9(16)13(12(11)17)18-3-4-22-6-10(18)19/h5,7H,2-4,6H2,1H3,(H,20,21)