2-azanyl-3-[3-iodanyl-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid; sulfuric acid

Systemtic Name: 2-azanyl-3-[3-iodanyl-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid; sulfuric acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo-phenyl]propanoic acid; sulfuric acid CAS Name: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid; sulfuric acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid; sulfuric acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3-iodo-phenyl]propionic acid; sulfuric acid Formula: C15H15I2NO8S MolecularWeight: 623.15544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)I.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)I.OS(=O)(=O)O

InChI

InChI=1S/C15H13I2NO4.H2O4S/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21;1-5(2,3)4/h1-5,7,12,19H,6,18H2,(H,20,21);(H2,1,2,3,4)