![trans-4-[4-(trans-4-Ethylcyclohexyl)cyclohexyl]benzonitrile](https://newcny.com/wp-content/uploads/2024/12/89409-90-5.svg)
CAS Registry Number®
89409-90-5
CAS Name
4-[(trans,trans)-4′-Ethyl[1,1′-bicyclohexyl]-4-yl]benzonitrile
Molecular Formula
C21H29N
Molecular Mass
295.46
Other Names and Identifiers
InChI
InChI=1/C21H29N/c1-2-16-3-7-18(8-4-16)20-11-13-21(14-12-20)19-9-5-17(15-22)6-10-19/h5-6,9-10,16,18,20-21H,2-4,7-8,11-14H2,1H3/t16-,18-,20-,21-
InChIKey
InChIKey=JPWFWALAPSXMKY-JEKGWRKSNA-N
SMILES
C(C)[C@H]1CC[C@]([C@]2(CC[C@@H](CC2)C3=CC=C(C#N)C=C3)[H])(CC1)[H]
Canonical SMILES
N#CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC)CC3
Other Names for this Substance
- Benzonitrile, 4-[(trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-
- Benzonitrile, 4-(4′-ethyl[1,1′-bicyclohexyl]-4-yl)-, [trans(trans)]-
- 4-[(trans,trans)-4′-Ethyl[1,1′-bicyclohexyl]-4-yl]benzonitrile
- trans-4-[4-(trans-4-Ethylcyclohexyl)cyclohexyl]benzonitrile
Deleted or Replaced CAS Registry Numbers
186187-79-1, 2639759-68-3
