4-[(2S,4S)-4-oxidanylpentan-2-yl]oxy-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[(2S,4S)-4-oxidanylpentan-2-yl]oxy-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[(1S,3S)-3-hydroxy-1-methyl-butoxy]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(2S,4S)-4-hydroxypentan-2-yl]oxy-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[(2S,4S)-4-hydroxypentan-2-yl]oxy-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[(1S,3S)-3-hydroxy-1-methyl-butoxy]-2-(trifluoromethyl)benzonitrile Formula: C13H14F3NO2 MolecularWeight: 273.25097

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)OC1=CC(=C(C=C1)C#N)C(F)(F)F)O

Isomeric SMILES

C[C@@H](C[C@H](C)OC1=CC(=C(C=C1)C#N)C(F)(F)F)O

InChI

InChI=1S/C13H14F3NO2/c1-8(18)5-9(2)19-11-4-3-10(7-17)12(6-11)13(14,15)16/h3-4,6,8-9,18H,5H2,1-2H3/t8-,9-/m0/s1