8-methylsulfonyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid

Systemtic Name: 8-methylsulfonyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid Openeye Name: 8-methylsulfonyl-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid CAS Name: 8-methylsulfonyl-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid IUPAC Name: 8-methylsulfonyl-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid Traditional Name: 8-mesyl-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid Formula: C11H8N4O5S MolecularWeight: 308.27002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)O)[O-]

InChI

InChI=1S/C11H8N4O5S/c1-21(19,20)6-2-3-8-9(4-6)14-10(13-15(8)18)7(5-12-14)11(16)17/h2-5H,1H3,(H,16,17)