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

Systemtic Name: 2-[[2,4,6-tris(iodanyl)-3-(3-oxidanylidenemorpholin-4-yl)phenyl]methyl]butanoic acid Openeye Name: 2-[[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]methyl]butanoic acid CAS Name: 2-[[2,4,6-triiodo-3-(3-oxo-4-morpholinyl)phenyl]methyl]butanoic acid IUPAC Name: 2-[[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]methyl]butanoic acid Traditional Name: 2-[2,4,6-triiodo-3-(3-ketomorpholino)benzyl]butyric acid Formula: C15H16I3NO4 MolecularWeight: 655.00525

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=C(C=C1I)I)N2CCOCC2=O)I)C(=O)O

Isomeric SMILES

CCC(CC1=C(C(=C(C=C1I)I)N2CCOCC2=O)I)C(=O)O

InChI

InChI=1S/C15H16I3NO4/c1-2-8(15(21)22)5-9-10(16)6-11(17)14(13(9)18)19-3-4-23-7-12(19)20/h6,8H,2-5,7H2,1H3,(H,21,22)