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

Systemtic Name: 3-(3-azanyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-(3-amino-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-(3-amino-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 3-(3-amino-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(3-amino-5-keto-2-pyrazolin-1-yl)besylic acid Formula: C9H9N3O4S MolecularWeight: 255.25046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC(=CC=C2)S(=O)(=O)O)N

Isomeric SMILES

C1C(=NN(C1=O)C2=CC(=CC=C2)S(=O)(=O)O)N

InChI

InChI=1S/C9H9N3O4S/c10-8-5-9(13)12(11-8)6-2-1-3-7(4-6)17(14,15)16/h1-4H,5H2,(H2,10,11)(H,14,15,16)