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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)O

InChI

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