(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl) benzenesulfonate

Systemtic Name: (3-methyl-5-oxidanylidene-4H-pyrazol-1-yl) benzenesulfonate Openeye Name: (3-methyl-5-oxo-4H-pyrazol-1-yl) benzenesulfonate CAS Name: benzenesulfonic acid (3-methyl-5-oxo-4H-pyrazol-1-yl) ester IUPAC Name: (3-methyl-5-oxo-4H-pyrazol-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (5-keto-3-methyl-2-pyrazolin-1-yl) ester Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O4S/c1-8-7-10(13)12(11-8)16-17(14,15)9-5-3-2-4-6-9/h2-6H,7H2,1H3