Glucobrassicanapin
CAS Registry Number®
19041-10-2
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CAS Name
GlucobrassicanapinMolecular Formula
C12H21NO9S2Molecular Mass
387.43Cite this Page
Glucobrassicanapin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=19041-10-2 (retrieved ) (CAS RN: 19041-10-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1
InChIKey
InChIKey=XMJFVIGTHMOGNZ-URYVQPGZSA-N
SMILES
S(C(=NOS(=O)(=O)O)CCCC=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)CCCC=C
Other Names for this Substance
- β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-5-hexenimidate]
- Glucopyranose, 1-thio-, 1-(5-hexenohydroximate) NO-(hydrogen sulfate), β-D-
- Glucobrassicanapin
- 4-Pentenylglucosinolate
Deleted or Replaced CAS Registry Numbers
132912-08-4
