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Substance Name: 5-Butyryl-2,4-dihydroxyphenyl hydrogen sulfate
RN: 805980-79-4
UNII: 2N42Y6L9C5
InChIKey: XXYXGCDUPNFZIT-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-O7-S

Molecular Weight

  • 276.2638
 
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Names and Synonyms

Name of Substance

  • 5-Butyryl-2,4-dihydroxyphenyl hydrogen sulfate

Synonyms

  • 1-Butanone, 1-(2,4-dihydroxy-5-(sulfooxy)phenyl)-
  • 5-Butyryl-2,4-dihydroxyphenyl hydrogen sulfate
  • Butyrophenone, 2',4',5'-trihydroxy-, 5'-(hydrogen sulfate)
  • UNII-2N42Y6L9C5

Registry Numbers

CAS Registry Number

  • 805980-79-4

FDA UNII

  • 2N42Y6L9C5

System Generated Number

  • 0805980794

Structure Descriptors

InChI

InChI=1S/C10H12O7S/c1-2-3-7(11)6-4-10(17-18(14,15)16)9(13)5-8(6)12/h4-5,12-13H,2-3H2,1H3,(H,14,15,16)

InChIKey

XXYXGCDUPNFZIT-UHFFFAOYSA-N

Smiles

CCCC(=O)c1cc(OS(=O)(=O)O)c(O)cc1O