3-[3,5-bis(2-acetyloxypropanoylamino)-2,4,6-tris(iodanyl)phenyl]propanoate

Systemtic Name: 3-[3,5-bis(2-acetyloxypropanoylamino)-2,4,6-tris(iodanyl)phenyl]propanoate Openeye Name: 3-[3,5-bis(2-acetoxypropanoylamino)-2,4,6-triiodo-phenyl]propanoate CAS Name: 3-[3,5-bis[(2-acetyloxy-1-oxopropyl)amino]-2,4,6-triiodophenyl]propanoate IUPAC Name: 3-[3,5-bis(2-acetyloxypropanoylamino)-2,4,6-triiodophenyl]propanoate Traditional Name: 3-[3,5-bis(2-acetoxypropanoylamino)-2,4,6-triiodo-phenyl]propionate Formula: C19H20I3N2O8- MolecularWeight: 785.08411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(C(=C1I)CCC(=O)[O-])I)NC(=O)C(C)OC(=O)C)I)OC(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C(=C(C(=C1I)CCC(=O)[O-])I)NC(=O)C(C)OC(=O)C)I)OC(=O)C

InChI

InChI=1S/C19H21I3N2O8/c1-7(31-9(3)25)18(29)23-16-13(20)11(5-6-12(27)28)14(21)17(15(16)22)24-19(30)8(2)32-10(4)26/h7-8H,5-6H2,1-4H3,(H,23,29)(H,24,30)(H,27,28)/p-1