6-Methylsulfinylhexyl glucosinolate
CAS Registry Number®
33049-17-1
CAS Name
6-Methylsulfinylhexyl glucosinolateMolecular Formula
C14H27NO10S3Molecular Mass
465.56Cite this Page
6-Methylsulfinylhexyl glucosinolate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=33049-17-1 (retrieved ) (CAS RN: 33049-17-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/t9-,11-,12+,13-,14+,27?/m1/s1
InChIKey
InChIKey=OOGAQHVYHLPICD-DNDZILKHSA-N
SMILES
S(C(=NOS(=O)(=O)O)CCCCCCS(C)=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES
O=S(C)CCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranose, 1-thio-, 1-[7-(methylsulfinyl)-N-(sulfooxy)heptanimidate]
- Glucohesperalin
- 6-Methylsulfinylhexyl glucosinolate
- Glucoalissin
- Glucohesperin