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

Systemtic Name: 3-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(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(=CC=C2)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c1-2-4-9-7-12(15)14(13-9)10-5-3-6-11(8-10)19(16,17)18/h3,5-6,8H,2,4,7H2,1H3,(H,16,17,18)