4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate

CAS Registry Number®

72928-55-3

CAS Name

4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate

Molecular Formula

C25H29NO2

Molecular Mass

375.50

Cite this Page

4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72928-55-3 (retrieved 2024-11-08) (CAS RN: 72928-55-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    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

CAS INSIGHTSTM
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