Tebufelone

CAS Registry Number®

112018-00-5
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CAS Name

Tebufelone

Molecular Formula

C20H28O2

Molecular Mass

300.44

Cite this Page

Tebufelone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112018-00-5 (retrieved 2024-03-28) (CAS RN: 112018-00-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3

InChIKey

InChIKey=ZHXUEUKVDMWSKV-UHFFFAOYSA-N

SMILES

OC1=C(C(C)(C)C)C=C(C(CCCC#C)=O)C=C1C(C)(C)C

Canonical SMILES

O=C(C=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C)CCCC#C

Other Names for this Substance

  • 5-Hexyn-1-one, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
  • 1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-5-hexyn-1-one
  • Tebufelone
  • NE 11740
  • 4-(5′-Hexynoyl)-2,6-di-tert-butylphenol

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