3-iodanyl-6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 3-iodanyl-6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 3-iodo-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 3-iodo-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 3-iodo-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-iodo-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium Formula: C8H6IN3O MolecularWeight: 287.05721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=NC(=N2)I)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=NC(=N2)I)[O-]

InChI

InChI=1S/C8H6IN3O/c1-5-2-3-7-6(4-5)10-8(9)11-12(7)13/h2-4H,1H3