2,4,6-tris(iodanyl)-5-[(3-methoxy-2-oxidanylidene-propyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4,6-tris(iodanyl)-5-[(3-methoxy-2-oxidanylidene-propyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 2,4,6-triiodo-5-[(3-methoxy-2-oxo-propyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 2,4,6-triiodo-5-[(3-methoxy-2-oxopropyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4,6-triiodo-5-[(3-methoxy-2-oxopropyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 2,4,6-triiodo-5-[(2-keto-3-methoxy-propyl)amino]isophthalic acid Formula: C12H10I3NO6 MolecularWeight: 644.92431

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)CNC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

Isomeric SMILES

COCC(=O)CNC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

InChI

InChI=1S/C12H10I3NO6/c1-22-3-4(17)2-16-10-8(14)5(11(18)19)7(13)6(9(10)15)12(20)21/h16H,2-3H2,1H3,(H,18,19)(H,20,21)