4-(2-azaniumylethyl)-2,6-bis(iodanyl)phenolate

Systemtic Name: 4-(2-azaniumylethyl)-2,6-bis(iodanyl)phenolate Openeye Name: 4-(2-azaniumylethyl)-2,6-diiodo-phenolate CAS Name: 4-(2-ammonioethyl)-2,6-diiodophenolate IUPAC Name: 4-(2-azaniumylethyl)-2,6-diiodophenolate Traditional Name: 4-(2-ammonioethyl)-2,6-diiodo-phenolate Formula: C8H9I2NO MolecularWeight: 388.9721

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)[O-])I)CC[NH3+]

Isomeric SMILES

C1=C(C=C(C(=C1I)[O-])I)CC[NH3+]

InChI

InChI=1S/C8H9I2NO/c9-6-3-5(1-2-11)4-7(10)8(6)12/h3-4,12H,1-2,11H2