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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-2-3-9-8-12(15)14(13-9)10-4-6-11(7-5-10)19(16,17)18/h4-7H,2-3,8H2,1H3,(H,16,17,18)