(5-methyl-2-phenyl-3H-pyrazol-2-ium-3-yl) thiophene-2-sulfonate

Systemtic Name: (5-methyl-2-phenyl-3H-pyrazol-2-ium-3-yl) thiophene-2-sulfonate Openeye Name: (5-methyl-2-phenyl-3H-pyrazol-2-ium-3-yl) thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid (5-methyl-2-phenyl-3H-pyrazol-2-ium-3-yl) ester IUPAC Name: (5-methyl-2-phenyl-3H-pyrazol-2-ium-3-yl) thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid (5-methyl-2-phenyl-3H-pyrazol-2-ium-3-yl) ester Formula: C14H13N2O3S2+ MolecularWeight: 321.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC([N+](=N1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC([N+](=N1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C14H13N2O3S2/c1-11-10-13(16(15-11)12-6-3-2-4-7-12)19-21(17,18)14-8-5-9-20-14/h2-10,13H,1H3/q+1