4-(4,5-dimethyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 4-(4,5-dimethyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-3,4-dimethyl-3-pyrazolin-1-yl)besylic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4S/c1-7-8(2)12-13(11(7)14)9-3-5-10(6-4-9)18(15,16)17/h3-6,12H,1-2H3,(H,15,16,17)