1,1-diphenylpyrazol-1-ium; methyl sulfate

Systemtic Name: 1,1-diphenylpyrazol-1-ium; methyl sulfate Openeye Name: 1,1-diphenylpyrazol-1-ium; methyl sulfate CAS Name: 1,1-diphenylpyrazol-1-ium; methyl sulfate IUPAC Name: 1,1-diphenylpyrazol-1-ium; methyl sulfate Traditional Name: 1,1-diphenylpyrazol-1-ium; methyl sulfate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)[N+]2(C=CC=N2)C3=CC=CC=C3

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)[N+]2(C=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H13N2.CH4O4S/c1-3-8-14(9-4-1)17(13-7-12-16-17)15-10-5-2-6-11-15;1-5-6(2,3)4/h1-13H;1H3,(H,2,3,4)/q+1;/p-1