Docebenone

CAS Registry Number®

80809-81-0
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CAS Name

Docebenone

Molecular Formula

C21H26O3

Molecular Mass

326.43

Cite this Page

Docebenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80809-81-0 (retrieved 2024-04-27) (CAS RN: 80809-81-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3

InChIKey

InChIKey=WDEABJKSGGRCQA-UHFFFAOYSA-N

SMILES

C(CCCC#CCCCC#CCO)C1=C(C)C(=O)C(C)=C(C)C1=O

Canonical SMILES

O=C1C(=C(C(=O)C(=C1C)CCCCC#CCCCC#CCO)C)C

Other Names for this Substance

  • 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiyn-1-yl)-3,5,6-trimethyl-
  • 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-
  • 2-(12-Hydroxy-5,10-dodecadiyn-1-yl)-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione
  • AA 861
  • Docebenone

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Deleted or Replaced CAS Registry Numbers

1251949-83-3

CAS INSIGHTSTM
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