1-[(5S)-5-oxidanyl-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[(5S)-5-oxidanyl-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone IUPAC Name: 1-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[(5S)-5-hydroxy-3,5-bis(trifluoromethyl)-2-pyrazolin-1-yl]-2-phenyl-ethanone Formula: C13H10F6N2O2 MolecularWeight: 340.221119

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

C1C(=NN([C@]1(C(F)(F)F)O)C(=O)CC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H10F6N2O2/c14-12(15,16)9-7-11(23,13(17,18)19)21(20-9)10(22)6-8-4-2-1-3-5-8/h1-5,23H,6-7H2/t11-/m0/s1