4-[5-(dioxidanylmethyl)-4-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(dioxidanylmethyl)-4-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-(hydroperoxymethyl)-4-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-(hydroperoxymethyl)-4-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(hydroperoxymethyl)-4-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-(hydroperoxymethyl)-5-keto-4-methyl-3-pyrazolin-1-yl]besylic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)COO

Isomeric SMILES

CC1=C(NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)COO

InChI

InChI=1S/C11H12N2O6S/c1-7-10(6-19-15)12-13(11(7)14)8-2-4-9(5-3-8)20(16,17)18/h2-5,12,15H,6H2,1H3,(H,16,17,18)