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Substance Name: Tetramethylammonium glucosinalbate
RN: 20643-28-1
InChIKey: WPOFFBDLPBXTRV-XLUSCXMISA-M

Molecular Formula

  • C14-H18-N-O10-S2.C4-H12-N

Molecular Weight

  • 498.571
 
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Names and Synonyms

Results Name

  • Tetramethylammonium glucosinalbate

Synonyms

  • EINECS 243-935-1
  • Glucopyranose, 1-thio-, 1-(2-(p-hydroxyphenyl) acetohydroximate) NO-(hydrogen sulfate), ion(1-), tetramethylammonium, beta-D-
  • Tetramethylammonium glucosinalbate
  • Tetramethylammonium salt with sinalbin

Systematic Names

  • Ammonium, tetramethyl-, salt with 1-thio-beta-D-glucopyranosyl 1-(2-(p-hydroxyphenyl)acetohydroximate) NO-(hydrogen sulfate) (1:1)
  • beta-D-Glucopyranose, 1-thio-, 1-(4-hydroxy-N-(sulfooxy)benzeneethanimidate), ion(1-), N,N,N-trimethylmethanaminium
  • Methanaminium, N,N,N-trimethyl-, salt with 1-thio-beta-D-glucopyranose 1-(4-hydroxy-N-(sulfooxy)benzeneethanimidate) (1:1)
  • Tetramethylammonium (4-hydroxy-alpha-(1-thio-beta-D-glucopyranosyl)phenethylideneaminyl) sulphate

Registry Numbers

CAS Registry Number

  • 20643-28-1

System Generated Number

  • 0020643281

Molecular Formulas

Molecular Formula

  • C14-H18-N-O10-S2.C4-H12-N

Molecular Formula Fragments

  • C14-H18-N-O10-S2
  • C4-H12-N
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19NO10S2.C4H12N/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7;1-5(2,3)4/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23);1-4H3/q;+1/p-1/b15-10+;/t9-,11-,12+,13-,14+;/m1./s1

InChIKey

WPOFFBDLPBXTRV-XLUSCXMISA-M

Smiles

C[N+](C)(C)C.OC[C@H]1O[C@@H](S\C(=N\OS(=O)(=O)[O-])\Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O