4-iodanyl-3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-iodanyl-3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-iodo-3-(o-tolyl)oxadiazol-3-ium-5-olate CAS Name: 4-iodo-3-(2-methylphenyl)-5-oxadiazol-3-iumolate IUPAC Name: 4-iodo-3-(2-methylphenyl)oxadiazol-3-ium-5-olate Traditional Name: 4-iodo-3-(o-tolyl)oxadiazol-3-ium-5-olate Formula: C9H7IN2O2 MolecularWeight: 302.06855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=NOC(=C2I)[O-]

Isomeric SMILES

CC1=CC=CC=C1[N+]2=NOC(=C2I)[O-]

InChI

InChI=1S/C9H7IN2O2/c1-6-4-2-3-5-7(6)12-8(10)9(13)14-11-12/h2-5H,1H3