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

Systemtic Name: 2-azanyl-3-[2,3,5-tris(iodanyl)-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3,5-triiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3,5-triiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3,5-triiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3,5-triiodo-phenyl]propionic acid Formula: C15H12I3NO4 MolecularWeight: 650.97349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12I3NO4/c16-10-5-7(6-11(19)15(21)22)12(17)13(18)14(10)23-9-3-1-8(20)2-4-9/h1-5,11,20H,6,19H2,(H,21,22)