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

Systemtic Name: 1-(5-methyl-3-oxidanylidene-4-propan-2-yl-1H-pyrazol-2-yl)propane-1-sulfonic acid Openeye Name: 1-(4-isopropyl-5-methyl-3-oxo-1H-pyrazol-2-yl)propane-1-sulfonic acid CAS Name: 1-(5-methyl-3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)-1-propanesulfonic acid IUPAC Name: 1-(5-methyl-3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)propane-1-sulfonic acid Traditional Name: 1-(4-isopropyl-5-keto-3-methyl-3-pyrazolin-1-yl)propane-1-sulfonic acid Formula: C10H18N2O4S MolecularWeight: 262.32592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C(=O)C(=C(N1)C)C(C)C)S(=O)(=O)O

Isomeric SMILES

CCC(N1C(=O)C(=C(N1)C)C(C)C)S(=O)(=O)O

InChI

InChI=1S/C10H18N2O4S/c1-5-8(17(14,15)16)12-10(13)9(6(2)3)7(4)11-12/h6,8,11H,5H2,1-4H3,(H,14,15,16)