CHEBI:85615 - 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone

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ChEBI Name 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone ChEBI ID CHEBI:85615 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H17BrO4S Net Charge 0 Average Mass 397.28300 Monoisotopic Mass 396.00309 InChI InChI=1S/C17H17BrO4S/c1-12-3-9-15(10-4-12)23(20,21)11-16(18)17(19)13-5-7-14(22-2)8-6-13/h3-10,16H,11H2,1-2H3 InChIKey MJUHOZYYOLAOCJ-UHFFFAOYSA-N SMILES COc1ccc(cc1)C(=O)C(Br)CS(=O)(=O)c1ccc(C)cc1 ChEBI Ontology Outgoing 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone (CHEBI:85615) is a α-bromoketone (CHEBI:51843) 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone (CHEBI:85615) is a monomethoxybenzene (CHEBI:25235) 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone (CHEBI:85615) is a sulfone (CHEBI:35850) IUPAC Name 2-bromo-1-(4-methoxyphenyl)-3-(4-methylbenzene-1-sulfonyl)propan-1-one Synonym Source NSC 159628 ChEBI Registry Number Type Source 6231307 Reaxys Registry Number Reaxys Citation Type Source 18204818 PubMed citation Europe PMC Last Modified 30 April 2015