2-acetamido-3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C17H14I3NO5 MolecularWeight: 693.01017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O

InChI

InChI=1S/C17H14I3NO5/c1-8(22)21-14(17(24)25)6-9-4-12(19)16(13(20)5-9)26-10-2-3-15(23)11(18)7-10/h2-5,7,14,23H,6H2,1H3,(H,21,22)(H,24,25)