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

Systemtic Name: 2-azaniumyl-3-[4-(3-ethanoyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: 3-[4-(3-acetyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-2-azaniumyl-propanoate CAS Name: 3-[4-(3-acetyl-4-hydroxyphenoxy)-3,5-diiodophenyl]-2-ammoniopropanoate IUPAC Name: 3-[4-(3-acetyl-4-hydroxyphenoxy)-3,5-diiodophenyl]-2-azaniumylpropanoate Traditional Name: 3-[4-(3-acetyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-2-ammonio-propionate Formula: C17H15I2NO5 MolecularWeight: 567.11364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15I2NO5/c1-8(21)11-7-10(2-3-15(11)22)25-16-12(18)4-9(5-13(16)19)6-14(20)17(23)24/h2-5,7,14,22H,6,20H2,1H3,(H,23,24)