[2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-acetamido-2,4,6-triiodo-phenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-acetamido-2,4,6-triiodophenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-acetamido-2,4,6-triiodophenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-acetamido-2,4,6-triiodo-phenyl)-1-phosphono-ethyl]phosphonic acid Formula: C10H12I3NO7P2 MolecularWeight: 700.865712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12I3NO7P2/c1-4(15)14-10-7(12)3-6(11)5(9(10)13)2-8(22(16,17)18)23(19,20)21/h3,8H,2H2,1H3,(H,14,15)(H2,16,17,18)(H2,19,20,21)