CAS Registry Number®
72928-55-3
CAS Name
4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate
Molecular Formula
C25H29NO2
Molecular Mass
375.50
Compound Properties
-
Melting Point (0)
109 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1/C25H29NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-12-14-23(15-13-22)25(27)28-24-16-8-20(18-26)9-17-24/h8-9,12-17,19,21H,2-7,10-11H2,1H3/t19-,21-
InChIKey
InChIKey=IPGHZWGLMSBNAV-XUTJKUGGNA-N
SMILES
C(OC1=CC=C(C#N)C=C1)(=O)C2=CC=C(C=C2)[C@H]3CC[C@H](CCCCC)CC3
Canonical SMILES
N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)C3CCC(CCCCC)CC3)C=C1
Other Names for this Substance
- Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, 4-cyanophenyl ester
- Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-cyanophenyl ester, trans–
- 4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate
- 4-Cyanophenyl 4-(4-pentylcyclohexyl)benzoate
Deleted or Replaced CAS Registry Numbers
71352-36-8
