Glucotropaeolin

CAS Registry Number®

499-26-3
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CAS Name

Glucotropaeolin

Molecular Formula

C14H19NO9S2

Molecular Mass

409.43

Cite this Page

Glucotropaeolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=499-26-3 (retrieved 2024-04-27) (CAS RN: 499-26-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1

InChIKey

InChIKey=QQGLQYQXUKHWPX-LPUQOGTASA-N

SMILES

S(C(CC1=CC=CC=C1)=NOS(=O)(=O)O)[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)CC=2C=CC=CC2

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)benzeneethanimidate]
  • Glucopyranose, 1-thio-, 1-(2-phenylacetohydroximate) NO-(hydrogen sulfate), β-D-
  • Glucotropeolin
  • Glucotropaeolin
  • Benzylglucosinolate

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Deleted or Replaced CAS Registry Numbers

101072-67-7, 11045-60-6

CAS INSIGHTSTM
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