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

Systemtic Name: 2-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]methyl]hexanedioic acid Openeye Name: 2-[(3-acetamido-2,4,6-triiodo-phenyl)methyl]hexanedioic acid CAS Name: 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]hexanedioic acid IUPAC Name: 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]hexanedioic acid Traditional Name: 2-(3-acetamido-2,4,6-triiodo-benzyl)adipic acid Formula: C15H16I3NO5 MolecularWeight: 671.00465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16I3NO5/c1-7(20)19-14-11(17)6-10(16)9(13(14)18)5-8(15(23)24)3-2-4-12(21)22/h6,8H,2-5H2,1H3,(H,19,20)(H,21,22)(H,23,24)