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

Systemtic Name: 2-azanyl-3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]-2-methyl-propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-2-methyl-propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-methylpropanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-methylpropanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-2-methyl-propionic acid Formula: C16H14I3NO4 MolecularWeight: 665.00007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14I3NO4/c1-16(20,15(22)23)7-8-4-11(18)14(12(19)5-8)24-9-2-3-13(21)10(17)6-9/h2-6,21H,7,20H2,1H3,(H,22,23)