1-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propane-2-sulfonic acid

Systemtic Name: 1-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propane-2-sulfonic acid Openeye Name: 1-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propane-2-sulfonic acid CAS Name: 1-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-propanesulfonic acid IUPAC Name: 1-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propane-2-sulfonic acid Traditional Name: 1-(5-keto-1-phenyl-2-pyrazolin-3-yl)propane-2-sulfonic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN(C(=O)C1)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(CC1=NN(C(=O)C1)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-9(19(16,17)18)7-10-8-12(15)14(13-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,17,18)