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

Systemtic Name: 2-azanyl-3-[4-(3-chloranyl-5-iodanyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(3-chloro-4-hydroxy-5-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(3-chloro-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(3-chloro-4-hydroxy-5-iodo-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C15H11ClI3NO4 MolecularWeight: 685.41855

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)Cl)I)CC(C(=O)O)N

Isomeric SMILES

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)Cl)I)CC(C(=O)O)N

InChI

InChI=1S/C15H11ClI3NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)