2-[4-[4-(4-hexylcyclohexyl)phenyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-(4-hexylcyclohexyl)phenyl]phenyl]ethanenitrile Openeye Name: 2-[4-[4-(4-hexylcyclohexyl)phenyl]phenyl]acetonitrile CAS Name: 2-[4-[4-(4-hexylcyclohexyl)phenyl]phenyl]acetonitrile IUPAC Name: 2-[4-[4-(4-hexylcyclohexyl)phenyl]phenyl]acetonitrile Traditional Name: 2-[4-[4-(4-hexylcyclohexyl)phenyl]phenyl]acetonitrile Formula: C26H33N MolecularWeight: 359.54692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C26H33N/c1-2-3-4-5-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20-27/h9-10,13-18,21,23H,2-8,11-12,19H2,1H3