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

Systemtic Name: 2-azaniumyl-3-[3,5-bis(iodanyl)-4-(4-oxidanyl-3-propanoyl-phenoxy)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-(4-hydroxy-3-propanoyl-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-(1-oxopropyl)phenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-(4-hydroxy-3-propanoylphenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-(4-hydroxy-3-propionyl-phenoxy)-3,5-diiodo-phenyl]propionate Formula: C18H17I2NO5 MolecularWeight: 581.14022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

InChI

InChI=1S/C18H17I2NO5/c1-2-15(22)11-8-10(3-4-16(11)23)26-17-12(19)5-9(6-13(17)20)7-14(21)18(24)25/h3-6,8,14,23H,2,7,21H2,1H3,(H,24,25)