5-(2-acetyloxypropanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-acetyloxypropanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-acetoxypropanoylamino)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-acetyloxy-1-oxopropyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-acetyloxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxylic acid Traditional Name: 5-(2-acetoxypropanoylamino)-2,4,6-triiodo-isophthalic acid Formula: C13H10I3NO7 MolecularWeight: 672.93441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)OC(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)OC(=O)C

InChI

InChI=1S/C13H10I3NO7/c1-3(24-4(2)18)11(19)17-10-8(15)5(12(20)21)7(14)6(9(10)16)13(22)23/h3H,1-2H3,(H,17,19)(H,20,21)(H,22,23)