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

Systemtic Name: 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]hexanedioic acid Openeye Name: 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]hexanedioic acid CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid IUPAC Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid Traditional Name: 2-(3-amino-2,4,6-triiodo-benzyl)adipic acid Formula: C13H14I3NO4 MolecularWeight: 628.96797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14I3NO4/c14-8-5-9(15)12(17)11(16)7(8)4-6(13(20)21)2-1-3-10(18)19/h5-6H,1-4,17H2,(H,18,19)(H,20,21)