2-[3-(dimethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoic acid

Systemtic Name: 2-[3-(dimethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoic acid Openeye Name: 2-[3-(dimethylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoic acid CAS Name: 2-[3-[dimethylamino(oxo)methyl]-2,4,6-triiodophenoxy]butanoic acid IUPAC Name: 2-[3-(dimethylcarbamoyl)-2,4,6-triiodophenoxy]butanoic acid Traditional Name: 2-[3-(dimethylcarbamoyl)-2,4,6-triiodo-phenoxy]butyric acid Formula: C13H14I3NO4 MolecularWeight: 628.96797

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)N(C)C)I)I

Isomeric SMILES

CCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)N(C)C)I)I

InChI

InChI=1S/C13H14I3NO4/c1-4-8(13(19)20)21-11-7(15)5-6(14)9(10(11)16)12(18)17(2)3/h5,8H,4H2,1-3H3,(H,19,20)