β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-6-heptenimidate]
CAS Registry Number®
76265-24-2
CAS Name
β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-6-heptenimidate]Molecular Formula
C13H23NO9S2Molecular Mass
401.45Cite this Page
β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-6-heptenimidate]. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=76265-24-2 (retrieved ) (CAS RN: 76265-24-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C13H23NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h2,8,10-13,15-18H,1,3-7H2,(H,19,20,21)/t8-,10-,11+,12-,13+/m1/s1
InChIKey
InChIKey=ZCZQFWPILSDOII-ZMHPAJMFSA-N
SMILES
S(C(CCCCC=C)=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)CCCCC=C
Other Names for this Substance
- β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-6-heptenimidate]
- 5-Hexenyl glucosinolate