1-[(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 1-[(5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 1-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C12H19F3N2O2 MolecularWeight: 280.28667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C

InChI

InChI=1S/C12H19F3N2O2/c1-3-4-5-6-7-10-8-11(19,12(13,14)15)17(16-10)9(2)18/h19H,3-8H2,1-2H3/t11-/m0/s1