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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > ketonitrile > beta-ketonitrile > 2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
... > organooxygen compound > carbonyl compound > ketone > ketonitrile > beta-ketonitrile > 2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile

Preferred term

2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C20H18F3NO

has_role

inchi

  • InChI=1S/C20H18F3NO/c1-19(2,3)14-10-8-13(9-11-14)16(12-24)18(25)15-6-4-5-7-17(15)20(21,22)23/h4-11,16H,1-3H3

inchikey

  • FZHNJBVBSYNCGX-UHFFFAOYSA-N

mass

  • 345.359

monoisotopicmass

  • 345.13405

smiles

  • C=1(C=CC(=CC1)C(C)(C)C)C(C(=O)C=2C=CC=CC2C(F)(F)F)C#N

subset

  • 3_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141469

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