β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)benzenebutanimidate]

CAS Registry Number®

76265-25-3

CAS Name

β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)benzenebutanimidate]

Molecular Formula

C16H23NO9S2

Molecular Mass

437.49

Cite this Page

β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)benzenebutanimidate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76265-25-3 (retrieved 2025-02-19) (CAS RN: 76265-25-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H23NO9S2/c18-9-11-13(19)14(20)15(21)16(25-11)27-12(17-26-28(22,23)24)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13-16,18-21H,4,7-9H2,(H,22,23,24)/t11-,13-,14+,15-,16+/m1/s1

InChIKey

InChIKey=AAVHHGNQWFTUKS-JZYAIQKZSA-N

SMILES

S(C(=NOS(=O)(=O)O)CCCC1=CC=CC=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCC=2C=CC=CC2

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)benzenebutanimidate]
  • 3-Phenylpropyl glucosinolates

CAS INSIGHTSTM
Lithium-ion battery