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

Systemtic Name: 2-azanyl-3-[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C15H12BrI2NO4 MolecularWeight: 603.97302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)Br)O

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)Br)O

InChI

InChI=1S/C15H12BrI2NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)