β-D-Glucopyranose, 1-thio-, 1-[7-(methylsulfonyl)-N-(sulfooxy)heptanimidate]

CAS Registry Number®

74542-18-0
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CAS Name

β-D-Glucopyranose, 1-thio-, 1-[7-(methylsulfonyl)-N-(sulfooxy)heptanimidate]

Molecular Formula

C14H27NO11S3

Molecular Mass

481.56

Cite this Page

β-D-Glucopyranose, 1-thio-, 1-[7-(methylsulfonyl)-N-(sulfooxy)heptanimidate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74542-18-0 (retrieved 2024-09-20) (CAS RN: 74542-18-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H27NO11S3/c1-28(20,21)7-5-3-2-4-6-10(15-26-29(22,23)24)27-14-13(19)12(18)11(17)9(8-16)25-14/h9,11-14,16-19H,2-8H2,1H3,(H,22,23,24)/t9-,11-,12+,13-,14+/m1/s1

InChIKey

InChIKey=ILRMEXURGOFHMQ-LPUQOGTASA-N

SMILES

S(C(=NOS(=O)(=O)O)CCCCCCS(C)(=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)CCCCCCS(=O)(=O)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[7-(methylsulfonyl)-N-(sulfooxy)heptanimidate]
  • 6-Methylsulfonylhexyl glucosinolate