2,2-dimethyl-5-[4-oxidanyl-3,5-bis(trifluoromethyl)phenyl]-5-oxidanylidene-pentanenitrile

Systemtic Name: 2,2-dimethyl-5-[4-oxidanyl-3,5-bis(trifluoromethyl)phenyl]-5-oxidanylidene-pentanenitrile Openeye Name: 5-[4-hydroxy-3,5-bis(trifluoromethyl)phenyl]-2,2-dimethyl-5-oxo-pentanenitrile CAS Name: 5-[4-hydroxy-3,5-bis(trifluoromethyl)phenyl]-2,2-dimethyl-5-oxopentanenitrile IUPAC Name: 5-[4-hydroxy-3,5-bis(trifluoromethyl)phenyl]-2,2-dimethyl-5-oxopentanenitrile Traditional Name: 5-[4-hydroxy-3,5-bis(trifluoromethyl)phenyl]-5-keto-2,2-dimethyl-valeronitrile Formula: C15H13F6NO2 MolecularWeight: 353.259639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F6NO2/c1-13(2,7-22)4-3-11(23)8-5-9(14(16,17)18)12(24)10(6-8)15(19,20)21/h5-6,24H,3-4H2,1-2H3