Glucoerucin

CAS Registry Number®

21973-56-8
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CAS Name

Glucoerucin

Molecular Formula

C12H23NO9S3

Molecular Mass

421.51

Cite this Page

Glucoerucin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=21973-56-8 (retrieved 2024-05-11) (CAS RN: 21973-56-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1

InChIKey

InChIKey=GKUMMDFLKGFCKH-URYVQPGZSA-N

SMILES

S(C(CCCCSC)=NOS(=O)(=O)O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCSC

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[5-(methylthio)-N-(sulfooxy)pentanimidate]
  • Glucopyranose, 1-thio-, 1-[5-(methylthio)valerohydroximate], NO-(hydrogen sulfate), β-D-
  • Glucoerusin
  • Glucoerucin
  • 4-Methylthiobutyl glucosinolate

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Deleted or Replaced CAS Registry Numbers

26888-04-0

CAS INSIGHTSTM
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