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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4S/c1-7-3-4-9(18(15,16)17)6-10(7)13-11(14)5-8(2)12-13/h3-4,6H,5H2,1-2H3,(H,15,16,17)