Benzoic acid, 4-hexyl-, 4-cyanophenyl ester

CAS Registry Number®

50793-85-6

CAS Name

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester

Molecular Formula

C20H21NO2

Molecular Mass

307.39

Cite this Page

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50793-85-6 (retrieved 2024-11-21) (CAS RN: 50793-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3

InChIKey

InChIKey=DEUWEGPRKHPNKB-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC=C(CCCCCC)C=C1)C2=CC=C(C#N)C=C2

Canonical SMILES

N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)CCCCCC)C=C1

Other Names for this Substance

  • Benzoic acid, 4-hexyl-, 4-cyanophenyl ester
  • 4-Cyanophenyl 4-hexylbenzoate
  • p-Cyanophenyl p-hexylbenzoate
  • p′-Cyanophenyl p-hexylbenzoate
  • 4-Cyanophenyl 4-n-hexylbenzoate

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CAS INSIGHTSTM
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