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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone
... > 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 > aromatic ketone > 2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone

Preferred term

2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone  

Type

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

Broader concept

charge

  • +1

formula

  • C27H31N2O3S

inchi

  • InChI=1S/C27H31N2O3S/c1-19-16-22(27(3,4)5)17-20(2)26(19)33-15-13-23-8-6-7-14-28(23)18-25(30)21-9-11-24(12-10-21)29(31)32/h6-12,14,16-17H,13,15,18H2,1-5H3/q+1

inchikey

  • FCSPLBHOFZPWNK-UHFFFAOYSA-N

mass

  • 463.614

monoisotopicmass

  • 463.20499

smiles

  • CC1=CC(=CC(=C1SCCC2=CC=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103843

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