(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methanesulfonic acid

Systemtic Name: (5-oxidanylidene-1,2-dihydropyrazol-3-yl)methanesulfonic acid Openeye Name: (5-oxo-1,2-dihydropyrazol-3-yl)methanesulfonic acid CAS Name: (5-oxo-1,2-dihydropyrazol-3-yl)methanesulfonic acid IUPAC Name: (5-oxo-1,2-dihydropyrazol-3-yl)methanesulfonic acid Traditional Name: (5-keto-3-pyrazolin-3-yl)methanesulfonic acid Formula: C4H6N2O4S MolecularWeight: 178.16644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NNC1=O)CS(=O)(=O)O

Isomeric SMILES

C1=C(NNC1=O)CS(=O)(=O)O

InChI

InChI=1S/C4H6N2O4S/c7-4-1-3(5-6-4)2-11(8,9)10/h1H,2H2,(H2,5,6,7)(H,8,9,10)