4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]besylic acid Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O3S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)21-22(15)13-6-8-14(9-7-13)26(23,24)25/h2-10H,1H3,(H,23,24,25)