ethyl (5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: ethyl (5S)-3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl (5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H21F3N2O3 MolecularWeight: 310.31265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21F3N2O3/c1-3-5-6-7-8-10-9-12(20,13(14,15)16)18(17-10)11(19)21-4-2/h20H,3-9H2,1-2H3/t12-/m0/s1