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

Systemtic Name: 2,5-dimethyl-4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 2,5-dimethyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 2,5-dimethyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 2,5-dimethyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-3-methyl-3-pyrazolin-1-yl)-2,5-dimethyl-besylic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)C)N2C(=O)C=C(N2)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)C)N2C(=O)C=C(N2)C

InChI

InChI=1S/C12H14N2O4S/c1-7-5-11(19(16,17)18)8(2)4-10(7)14-12(15)6-9(3)13-14/h4-6,13H,1-3H3,(H,16,17,18)