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

Systemtic Name: 2-azanyl-3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-sulfooxy-phenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfooxy-phenoxy)phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfoxy-phenoxy)phenyl]propionic acid Formula: C15H12I3NO7S MolecularWeight: 731.03669

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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)I)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)