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

Systemtic Name: 2-azaniumyl-3-[3,5-bis(iodanyl)-4-[4-oxidanyl-3-(phenylcarbonyl)phenoxy]phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-(3-benzoyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-(3-benzoyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-(3-benzoyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-(3-benzoyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propionate Formula: C22H17I2NO5 MolecularWeight: 629.18302

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H17I2NO5/c23-16-8-12(10-18(25)22(28)29)9-17(24)21(16)30-14-6-7-19(26)15(11-14)20(27)13-4-2-1-3-5-13/h1-9,11,18,26H,10,25H2,(H,28,29)