4-Methylsulfonylbutyl glucosinolate

CAS Registry Number®

74542-16-8

CAS Name

4-Methylsulfonylbutyl glucosinolate

Molecular Formula

C12H23NO11S3

Molecular Mass

453.51

Cite this Page

4-Methylsulfonylbutyl glucosinolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74542-16-8 (retrieved 2024-11-08) (CAS RN: 74542-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/t7-,9-,10+,11-,12+/m1/s1

InChIKey

InChIKey=WJMGSLJQEIYHOF-URYVQPGZSA-N

SMILES

S(C(CCCCS(C)(=O)=O)=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)CCCCS(=O)(=O)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate]
  • 4-Methylsulfonylbutyl glucosinolate

CAS INSIGHTSTM
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