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Substance Name: 3,4-Dimethoxybenzylglucosinolate
RN: 88162-43-0
InChIKey: QSRPUECPQQYEBY-STPBKMPXSA-N

Molecular Formula

  • C16-H23-N-O11-S2

Molecular Weight

  • 469.4857
 
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Names and Synonyms

Results Name

  • 3,4-Dimethoxybenzylglucosinolate

Synonym

  • 3,4-Dimethoxybenzylglucosinolate

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(3,4-dimethoxy-N-(sulfooxy)benzeneethanimidate)

Registry Numbers

CAS Registry Number

  • 88162-43-0

System Generated Number

  • 0088162430

Structure Descriptors

InChI

1S/C16H23NO11S2/c1-25-9-4-3-8(5-10(9)26-2)6-12(17-28-30(22,23)24)29-16-15(21)14(20)13(19)11(7-18)27-16/h3-5,11,13-16,18-21H,6-7H2,1-2H3,(H,22,23,24)/b17-12+/t11-,13-,14+,15-,16+/m1/s1

InChIKey

QSRPUECPQQYEBY-STPBKMPXSA-N

Smiles

[C@@H]1(O)[C@@H](O)[C@H](O)[C@H](O[C@H]1SC(=N\OS(=O)(=O)O)\Cc1cc(c(cc1)OC)OC)CO