1-[(E)-4-(1-pentan-2-ylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethyl)benzene

Systemtic Name: 1-[(E)-4-(1-pentan-2-ylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethyl)benzene Openeye Name: 1-[(E)-4-[1-(1-methylbutyl)cyclohexyl]but-3-en-1-ynyl]-4-(trifluoromethyl)benzene CAS Name: 1-[(E)-4-(1-pentan-2-ylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethyl)benzene IUPAC Name: 1-[(E)-4-(1-pentan-2-ylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethyl)benzene Traditional Name: 1-[(E)-4-[1-(1-methylbutyl)cyclohexyl]but-3-en-1-ynyl]-4-(trifluoromethyl)benzene Formula: C22H27F3 MolecularWeight: 348.44499

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(CCCCC1)C=CC#CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC(C)C1(CCCCC1)/C=C/C#CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C22H27F3/c1-3-9-18(2)21(15-6-4-7-16-21)17-8-5-10-19-11-13-20(14-12-19)22(23,24)25/h8,11-14,17-18H,3-4,6-7,9,15-16H2,1-2H3/b17-8+