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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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