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

Systemtic Name: 5-(2-acetyloxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-acetoxyethylcarbamoyl)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-acetyloxyethylamino)-oxomethyl]-2,4,6-triiodobenzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-acetyloxyethylcarbamoyl)-2,4,6-triiodobenzene-1,3-dicarboxylic acid Traditional Name: 5-(2-acetoxyethylcarbamoyl)-2,4,6-triiodo-isophthalic acid Formula: C13H10I3NO7 MolecularWeight: 672.93441

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

Isomeric SMILES

CC(=O)OCCNC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

InChI

InChI=1S/C13H10I3NO7/c1-4(18)24-3-2-17-11(19)5-8(14)6(12(20)21)10(16)7(9(5)15)13(22)23/h2-3H2,1H3,(H,17,19)(H,20,21)(H,22,23)