4-(2-oxidanyloctoxy)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(2-oxidanyloctoxy)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(2-hydroxyoctoxy)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(2-hydroxyoctoxy)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(2-hydroxyoctoxy)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(2-hydroxyoctoxy)-2-(trifluoromethyl)benzonitrile Formula: C16H20F3NO2 MolecularWeight: 315.33071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3NO2/c1-2-3-4-5-6-13(21)11-22-14-8-7-12(10-20)15(9-14)16(17,18)19/h7-9,13,21H,2-6,11H2,1H3