Butyl glucosinolate

CAS Registry Number®

35535-42-3

CAS Name

Butyl glucosinolate

Molecular Formula

C11H21NO9S2

Molecular Mass

375.42

Cite this Page

Butyl glucosinolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35535-42-3 (retrieved 2024-11-05) (CAS RN: 35535-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H21NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1

InChIKey

InChIKey=SYVVJZLOTVDBCP-ZHVGPZTNSA-N

SMILES

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

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)pentanimidate]
  • Butyl glucosinolate
  • n-Butylglucosinolate

CAS INSIGHTSTM
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