2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]pentanedioic acid

Systemtic Name: 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]pentanedioic acid Openeye Name: 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]pentanedioic acid CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]pentanedioic acid IUPAC Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]pentanedioic acid Traditional Name: 2-(3-amino-2,4,6-triiodo-benzyl)glutaric acid Formula: C12H12I3NO4 MolecularWeight: 614.94139

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)N)I)CC(CCC(=O)O)C(=O)O)I

Isomeric SMILES

C1=C(C(=C(C(=C1I)N)I)CC(CCC(=O)O)C(=O)O)I

InChI

InChI=1S/C12H12I3NO4/c13-7-4-8(14)11(16)10(15)6(7)3-5(12(19)20)1-2-9(17)18/h4-5H,1-3,16H2,(H,17,18)(H,19,20)