(E)-[1,1-dimethyl-3-(2-methylsulfonyloxyethoxy)-5-oxidanylidene-pyrazol-1-ium-4-ylidene]-methoxy-methanolate

Systemtic Name: (E)-[1,1-dimethyl-3-(2-methylsulfonyloxyethoxy)-5-oxidanylidene-pyrazol-1-ium-4-ylidene]-methoxy-methanolate Openeye Name: (E)-[1,1-dimethyl-3-(2-methylsulfonyloxyethoxy)-5-oxo-pyrazol-1-ium-4-ylidene]-methoxy-methanolate CAS Name: (E)-[1,1-dimethyl-3-(2-methylsulfonyloxyethoxy)-5-oxo-4-pyrazol-1-iumylidene]-methoxymethanolate IUPAC Name: (E)-[1,1-dimethyl-3-(2-methylsulfonyloxyethoxy)-5-oxopyrazol-1-ium-4-ylidene]-methoxymethanolate Traditional Name: (E)-[5-keto-1,1-dimethyl-3-(2-methylsulfonyloxyethoxy)-2-pyrazolin-1-ium-4-ylidene]-methoxy-methanolate Formula: C10H16N2O7S MolecularWeight: 308.30824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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