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

Systemtic Name: 2-[3-(butylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoic acid Openeye Name: 2-[3-(butylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoic acid CAS Name: 2-[3-[butylamino(oxo)methyl]-2,4,6-triiodophenoxy]butanoic acid IUPAC Name: 2-[3-(butylcarbamoyl)-2,4,6-triiodophenoxy]butanoic acid Traditional Name: 2-[3-(butylcarbamoyl)-2,4,6-triiodo-phenoxy]butyric acid Formula: C15H18I3NO4 MolecularWeight: 657.02113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(C=C1I)I)OC(CC)C(=O)O)I

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(C=C1I)I)OC(CC)C(=O)O)I

InChI

InChI=1S/C15H18I3NO4/c1-3-5-6-19-14(20)11-8(16)7-9(17)13(12(11)18)23-10(4-2)15(21)22/h7,10H,3-6H2,1-2H3,(H,19,20)(H,21,22)