3-methyl-4-(5-methyl-4-oxidanylidene-3H-pyrazol-2-yl)benzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N2CC(=O)C(=N2)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N2CC(=O)C(=N2)C

InChI

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