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

Systemtic Name: 2-azaniumyl-3-[4-[3-(4-hydroxyphenyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-diiodo-phenyl]propionate Formula: C21H17I2NO5 MolecularWeight: 617.17232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2)OC3=C(C=C(C=C3I)CC(C(=O)[O-])[NH3+])I)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2)OC3=C(C=C(C=C3I)CC(C(=O)[O-])[NH3+])I)O)O

InChI

InChI=1S/C21H17I2NO5/c22-16-7-11(9-18(24)21(27)28)8-17(23)20(16)29-14-5-6-19(26)15(10-14)12-1-3-13(25)4-2-12/h1-8,10,18,25-26H,9,24H2,(H,27,28)