Glucolesquerellin

CAS Registry Number®

74542-17-9
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CAS Name

Glucolesquerellin

Molecular Formula

C14H27NO9S3

Molecular Mass

449.56

Cite this Page

Glucolesquerellin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74542-17-9 (retrieved 2024-09-19) (CAS RN: 74542-17-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1

InChIKey

InChIKey=ZAKICGFSIJSCSF-LPUQOGTASA-N

SMILES

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

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[7-(methylthio)-N-(sulfooxy)heptanimidate]
  • 6-Methylthiohexyl glucosinolate
  • Glucolesquerellin