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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enone > 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone

Preferred term

1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C13H20O

has_role

inchi

  • InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+

inchikey

  • CRIGTVCBMUKRSL-FNORWQNLSA-N

mass

  • 192.29730

monoisotopicmass

  • 192.15142

smiles

  • C/C=C/C(=O)C1C(C)=CCCC1(C)C

subset

  • 3_STAR

synonym EXACT

  • (2E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one

synonym RELATED

  • 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone
  • 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-trans-2-Buten-1-one
  • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one
  • alpha-Damascone
  • TMCHB

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:53220

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