CHEBI:103843 - 2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone
ChEBI ID CHEBI:103843
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H31N2O3S
Net Charge +1
Average Mass 463.614
Monoisotopic Mass 463.20499
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
SMILES CC1=CC(=CC(=C1SCCC2=CC=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C
ChEBI Ontology
Outgoing 2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone (CHEBI:103843) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-15193 LINCS
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