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

ChEBI IDCHEBI:103843
ChEBI Name2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone
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FormulaC27H31N2O3S
Net Charge+1
Average Mass463.623
Monoisotopic Mass463.20499
SMILESCc1cc(C(C)(C)C)cc(C)c1SCCc1cccc[n+]1CC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=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
InChIKeyFCSPLBHOFZPWNK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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