2-[2-[2-(furan-2-ylcarbonylamino)ethylamino]-3-(2-iodanylphenoxy)-2-oxidanyl-propoxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[2-(furan-2-ylcarbonylamino)ethylamino]-3-(2-iodanylphenoxy)-2-oxidanyl-propoxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[2-(furan-2-carbonylamino)ethylamino]-2-hydroxy-3-(2-iodophenoxy)propoxy]-2-oxo-acetic acid CAS Name: 2-[2-[2-[[2-furanyl(oxo)methyl]amino]ethylamino]-2-hydroxy-3-(2-iodophenoxy)propoxy]-2-oxoacetic acid IUPAC Name: 2-[2-[2-(furan-2-carbonylamino)ethylamino]-2-hydroxy-3-(2-iodophenoxy)propoxy]-2-oxoacetic acid Traditional Name: 2-[2-[2-(2-furoylamino)ethylamino]-2-hydroxy-3-(2-iodophenoxy)propoxy]-2-keto-acetic acid Formula: C18H19IN2O8 MolecularWeight: 518.25653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(COC(=O)C(=O)O)(NCCNC(=O)C2=CC=CO2)O)I

Isomeric SMILES

C1=CC=C(C(=C1)OCC(COC(=O)C(=O)O)(NCCNC(=O)C2=CC=CO2)O)I

InChI

InChI=1S/C18H19IN2O8/c19-12-4-1-2-5-13(12)28-10-18(26,11-29-17(25)16(23)24)21-8-7-20-15(22)14-6-3-9-27-14/h1-6,9,21,26H,7-8,10-11H2,(H,20,22)(H,23,24)