4-(2,2-dimethyl-3-oxidanyl-propoxy)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(2,2-dimethyl-3-oxidanyl-propoxy)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(3-hydroxy-2,2-dimethyl-propoxy)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(3-hydroxy-2,2-dimethylpropoxy)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(3-hydroxy-2,2-dimethylpropoxy)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(3-hydroxy-2,2-dimethyl-propoxy)-2-(trifluoromethyl)benzonitrile Formula: C13H14F3NO2 MolecularWeight: 273.25097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

CC(C)(CO)COC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

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