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

Systemtic Name: 4-(3-ethanoyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(3-acetyl-5-keto-2-pyrazolin-1-yl)besylic acid Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H10N2O5S/c1-7(14)10-6-11(15)13(12-10)8-2-4-9(5-3-8)19(16,17)18/h2-5H,6H2,1H3,(H,16,17,18)