3-methyl-5-oxidanylidene-3-phenyl-pyrazolidine-1-sulfonic acid

Systemtic Name: 3-methyl-5-oxidanylidene-3-phenyl-pyrazolidine-1-sulfonic acid Openeye Name: 3-methyl-5-oxo-3-phenyl-pyrazolidine-1-sulfonic acid CAS Name: 3-methyl-5-oxo-3-phenyl-1-pyrazolidinesulfonic acid IUPAC Name: 3-methyl-5-oxo-3-phenylpyrazolidine-1-sulfonic acid Traditional Name: 5-keto-3-methyl-3-phenyl-pyrazolidine-1-sulfonic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(N1)S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1(CC(=O)N(N1)S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C10H12N2O4S/c1-10(8-5-3-2-4-6-8)7-9(13)12(11-10)17(14,15)16/h2-6,11H,7H2,1H3,(H,14,15,16)