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

ChEBI IDCHEBI:85615
ChEBI Name2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
Stars
Last Modified30 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H17BrO4S
Net Charge0
Average Mass397.290
Monoisotopic Mass396.00309
SMILESCOc1ccc(C(=O)C(Br)CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=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
InChIKeyMJUHOZYYOLAOCJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone (CHEBI:85615) is a α-bromoketone (CHEBI:51843)
IUPAC Name 
2-bromo-1-(4-methoxyphenyl)-3-(4-methylbenzene-1-sulfonyl)propan-1-one
Synonym  Source
NSC 159628ChEBI
Registry NumbersSources
Reaxys:6231307Reaxys
Citations