(5-iodanyl-4-oxidanidyl-pyrazin-4-ium-2-yl) benzoate

Systemtic Name: (5-iodanyl-4-oxidanidyl-pyrazin-4-ium-2-yl) benzoate Openeye Name: (5-iodo-4-oxido-pyrazin-4-ium-2-yl) benzoate CAS Name: benzoic acid (5-iodo-4-oxido-2-pyrazin-4-iumyl) ester IUPAC Name: (5-iodo-4-oxidopyrazin-4-ium-2-yl) benzoate Traditional Name: benzoic acid (5-iodo-4-oxido-pyrazin-4-ium-2-yl) ester Formula: C11H7IN2O3 MolecularWeight: 342.08935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=NC=C([N+](=C2)[O-])I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=NC=C([N+](=C2)[O-])I

InChI

InChI=1S/C11H7IN2O3/c12-9-6-13-10(7-14(9)16)17-11(15)8-4-2-1-3-5-8/h1-7H