4-[(E)-3-oxidanyl-3-(trifluoromethyl)pent-1-en-4-ynyl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanyl-3-(trifluoromethyl)pent-1-en-4-ynyl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[(E)-3-hydroxy-3-(trifluoromethyl)pent-1-en-4-ynyl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(E)-3-hydroxy-3-(trifluoromethyl)pent-1-en-4-ynyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[(E)-3-hydroxy-3-(trifluoromethyl)pent-1-en-4-ynyl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[(E)-3-hydroxy-3-(trifluoromethyl)pent-1-en-4-ynyl]-2-(trifluoromethyl)benzonitrile Formula: C14H7F6NO MolecularWeight: 319.201899

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C=CC1=CC(=C(C=C1)C#N)C(F)(F)F)(C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C14H7F6NO/c1-2-12(22,14(18,19)20)6-5-9-3-4-10(8-21)11(7-9)13(15,16)17/h1,3-7,22H/b6-5+