7-[2-ethyl-5-oxidanyl-4-[3-(trifluoromethyl)phenyl]phenoxy]-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[2-ethyl-5-oxidanyl-4-[3-(trifluoromethyl)phenyl]phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[2-ethyl-5-hydroxy-4-[3-(trifluoromethyl)phenyl]phenoxy]-2,2-dimethyl-enanthonitrile Formula: C24H28F3NO2 MolecularWeight: 419.47983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)C(F)(F)F)O)OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)C(F)(F)F)O)OCCCCCC(C)(C)C#N

InChI

InChI=1S/C24H28F3NO2/c1-4-17-14-20(18-9-8-10-19(13-18)24(25,26)27)21(29)15-22(17)30-12-7-5-6-11-23(2,3)16-28/h8-10,13-15,29H,4-7,11-12H2,1-3H3