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Concept information

... > organooxygen compound > carbonyl compound > ketone > haloketone > alpha-haloketone > alpha-bromoketone > 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
... > organooxygen compound > carbonyl compound > ketone > haloketone > bromoketone > alpha-bromoketone > 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > haloketone > bromoketone > alpha-bromoketone > 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > haloketone > bromoketone > alpha-bromoketone > 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
... > organooxygen compound > ether > aromatic ether > methoxybenzenes > monomethoxybenzene > 2-bromo-1-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone

Preferred term

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

Type

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

charge

  • 0

formula

  • C17H17BrO4S

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

mass

  • 397.28300

monoisotopicmass

  • 396.00309

smiles

  • COc1ccc(cc1)C(=O)C(Br)CS(=O)(=O)c1ccc(C)cc1

subset

  • 3_STAR

synonym EXACT

  • 2-bromo-1-(4-methoxyphenyl)-3-(4-methylbenzene-1-sulfonyl)propan-1-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85615

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