4-(3-nitro-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3-nitro-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(3-nitro-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(3-nitro-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(3-nitro-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-3-nitro-2-pyrazolin-1-yl)besylic acid Formula: C9H7N3O6S MolecularWeight: 285.23338

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O6S/c13-9-5-8(12(14)15)10-11(9)6-1-3-7(4-2-6)19(16,17)18/h1-4H,5H2,(H,16,17,18)