methyl 2,2-dimethyl-5-(2-methylsulfonyloxyethoxy)-3-oxidanylidene-1H-pyrazol-2-ium-4-carboxylate

Systemtic Name: methyl 2,2-dimethyl-5-(2-methylsulfonyloxyethoxy)-3-oxidanylidene-1H-pyrazol-2-ium-4-carboxylate Openeye Name: methyl 2,2-dimethyl-5-(2-methylsulfonyloxyethoxy)-3-oxo-1H-pyrazol-2-ium-4-carboxylate CAS Name: 2,2-dimethyl-5-(2-methylsulfonyloxyethoxy)-3-oxo-1H-pyrazol-2-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-5-(2-methylsulfonyloxyethoxy)-3-oxo-1H-pyrazol-2-ium-4-carboxylate Traditional Name: 5-keto-1,1-dimethyl-3-(2-methylsulfonyloxyethoxy)-3-pyrazolin-1-ium-4-carboxylic acid methyl ester Formula: C10H17N2O7S+ MolecularWeight: 309.31618

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C(=C(N1)OCCOS(=O)(=O)C)C(=O)OC)C

Isomeric SMILES

C[N+]1(C(=O)C(=C(N1)OCCOS(=O)(=O)C)C(=O)OC)C

InChI

InChI=1S/C10H16N2O7S/c1-12(2)9(13)7(10(14)17-3)8(11-12)18-5-6-19-20(4,15)16/h5-6H2,1-4H3/p+1