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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > arene > monocyclic arene > alkylbenzene > 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > arene > monocyclic arene > alkylbenzene > 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile

Preferred term

2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C14H13BrN2O

inchi

  • InChI=1S/C14H13BrN2O/c1-14(2,3)11-5-9(4-10(7-16)8-17)6-12(15)13(11)18/h4-6,18H,1-3H3

inchikey

  • ABBADGFSRBWENF-UHFFFAOYSA-N

mass

  • 305.170

monoisotopicmass

  • 304.02113

smiles

  • CC(C)(C)C1=C(C(=CC(=C1)C=C(C#N)C#N)Br)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93757

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