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

Systemtic Name: 2-azaniumyl-3-[4-(3-ethyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-(3-ethyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-(3-ethyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-(3-ethyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-(3-ethyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propionate Formula: C17H17I2NO4 MolecularWeight: 553.13012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

InChI

InChI=1S/C17H17I2NO4/c1-2-10-8-11(3-4-15(10)21)24-16-12(18)5-9(6-13(16)19)7-14(20)17(22)23/h3-6,8,14,21H,2,7,20H2,1H3,(H,22,23)