Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-
CAS Registry Number®
81930-18-9
CAS Name
Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-Molecular Formula
C27H33NO2Molecular Mass
403.56Cite this Page
Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81930-18-9 (retrieved ) (CAS RN: 81930-18-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C27H33NO2/c1-2-3-4-5-6-7-21-8-12-23(13-9-21)24-14-16-25(17-15-24)27(29)30-26-18-10-22(20-28)11-19-26/h10-11,14-19,21,23H,2-9,12-13H2,1H3/t21-,23-
InChIKey
InChIKey=GPXWKSACSYMTQN-AFARHQOCNA-N
SMILES
C(OC1=CC=C(C#N)C=C1)(=O)C2=CC=C(C=C2)[C@H]3CC[C@H](CCCCCCC)CC3
Canonical SMILES
N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)C3CCC(CCCCCCC)CC3)C=C1
Other Names for this Substance
- Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-