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

Systemtic Name: 2-azanyl-3-[3,5-bis(iodanyl)-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C15H13I2NO4 MolecularWeight: 525.07696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

Isomeric SMILES

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

InChI

InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)