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

Systemtic Name: 2,4,6-tris(iodanyl)-5-(4-oxidanylbutanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(4-hydroxybutanoylamino)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid CAS Name: 5-[(4-hydroxy-1-oxobutyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid IUPAC Name: 5-(4-hydroxybutanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxylic acid Traditional Name: 5-(4-hydroxybutanoylamino)-2,4,6-triiodo-isophthalic acid Formula: C12H10I3NO6 MolecularWeight: 644.92431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10I3NO6/c13-7-5(11(19)20)8(14)10(9(15)6(7)12(21)22)16-4(18)2-1-3-17/h17H,1-3H2,(H,16,18)(H,19,20)(H,21,22)