3-methylsulfonyl-7-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 3-methylsulfonyl-7-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 3-methylsulfonyl-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 3-methylsulfonyl-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 3-methylsulfonyl-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-mesyl-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium Formula: C8H6N4O5S MolecularWeight: 270.22204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-]

InChI

InChI=1S/C8H6N4O5S/c1-18(16,17)8-9-6-3-2-5(12(14)15)4-7(6)11(13)10-8/h2-4H,1H3