4-(3-methyl-3-oxidanyl-butoxy)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(3-methyl-3-oxidanyl-butoxy)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(3-hydroxy-3-methyl-butoxy)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(3-hydroxy-3-methylbutoxy)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(3-hydroxy-3-methylbutoxy)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(3-hydroxy-3-methyl-butoxy)-2-(trifluoromethyl)benzonitrile Formula: C13H14F3NO2 MolecularWeight: 273.25097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=CC(=C(C=C1)C#N)C(F)(F)F)O

Isomeric SMILES

CC(C)(CCOC1=CC(=C(C=C1)C#N)C(F)(F)F)O

InChI

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