5-methyl-2-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C=C(N2)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C=C(N2)C)S(=O)(=O)O

InChI

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