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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)C

InChI

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