2-Methylpropyl glucosinolate

CAS Registry Number®

38226-91-4

CAS Name

2-Methylpropyl glucosinolate

Molecular Formula

C11H21NO9S2

Molecular Mass

375.42

Cite this Page

2-Methylpropyl glucosinolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38226-91-4 (retrieved 2024-12-04) (CAS RN: 38226-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H21NO9S2/c1-5(2)3-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(4-13)20-11/h5-6,8-11,13-16H,3-4H2,1-2H3,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1

InChIKey

InChIKey=SKLKAEFXBVWMJP-ZHVGPZTNSA-N

SMILES

S(C(=NOS(=O)(=O)O)CC(C)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)CC(C)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[3-methyl-N-(sulfooxy)butanimidate]
  • 2-Methylpropyl glucosinolate
  • Isobutylglucosinolate

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