(3-nitrophenyl) 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonate

Systemtic Name: (3-nitrophenyl) 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonate Openeye Name: (3-nitrophenyl) 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonate CAS Name: 5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonate Traditional Name: 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonic acid (3-nitrophenyl) ester Formula: C15H10F3N3O5S2 MolecularWeight: 433.38221

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H10F3N3O5S2/c1-20-13(15(16,17)18)8-11(19-20)12-5-6-14(27-12)28(24,25)26-10-4-2-3-9(7-10)21(22)23/h2-8H,1H3