Allyl glucosinolate

CAS Registry Number®

534-69-0

CAS Name

Allyl glucosinolate

Molecular Formula

C10H17NO9S2

Molecular Mass

359.37

Cite this Page

Allyl glucosinolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=534-69-0 (retrieved 2024-12-20) (CAS RN: 534-69-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/t5-,7-,8+,9-,10+/m1/s1

InChIKey

InChIKey=PHZOWSSBXJXFOR-HOQQJHGQSA-N

SMILES

S(C(=NOS(=O)(=O)O)CC=C)[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)CC=C

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-3-butenimidate]
  • Glucopyranose, 1-thio-, 1-(3-butenohydroximate) NO-(hydrogen sulfate), β-D-
  • Synigrin
  • Allyl glucosinolate
  • 2-Propenyl glucosinolate

CAS INSIGHTSTM
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