1-phenylpyrazolidin-3-one; sulfurous acid

Systemtic Name: 1-phenylpyrazolidin-3-one; sulfurous acid Openeye Name: 1-phenylpyrazolidin-3-one; sulfurous acid CAS Name: 1-phenyl-3-pyrazolidinone; sulfurous acid IUPAC Name: 1-phenylpyrazolidin-3-one; sulfurous acid Traditional Name: 1-phenylpyrazolidin-3-one; sulfurous acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(NC1=O)C2=CC=CC=C2.OS(=O)O

Isomeric SMILES

C1CN(NC1=O)C2=CC=CC=C2.OS(=O)O

InChI

InChI=1S/C9H10N2O.H2O3S/c12-9-6-7-11(10-9)8-4-2-1-3-5-8;1-4(2)3/h1-5H,6-7H2,(H,10,12);(H2,1,2,3)