2-azaniumyl-3-[3,5-bis(iodanyl)-4-(4-oxidanyl-3-phenyl-phenoxy)phenyl]propanoate

Systemtic Name: 2-azaniumyl-3-[3,5-bis(iodanyl)-4-(4-oxidanyl-3-phenyl-phenoxy)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-(4-hydroxy-3-phenyl-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-(4-hydroxy-3-phenylphenoxy)-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-(4-hydroxy-3-phenylphenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-(4-hydroxy-3-phenyl-phenoxy)-3,5-diiodo-phenyl]propionate Formula: C21H17I2NO4 MolecularWeight: 601.17292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)OC3=C(C=C(C=C3I)CC(C(=O)[O-])[NH3+])I)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)OC3=C(C=C(C=C3I)CC(C(=O)[O-])[NH3+])I)O

InChI

InChI=1S/C21H17I2NO4/c22-16-8-12(10-18(24)21(26)27)9-17(23)20(16)28-14-6-7-19(25)15(11-14)13-4-2-1-3-5-13/h1-9,11,18,25H,10,24H2,(H,26,27)