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Substance Name: beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-5-hexenimidate)
RN: 19041-10-2
InChIKey: XMJFVIGTHMOGNZ-KALKGZTMSA-N

Molecular Formula

  • C12-H21-N-O9-S2

Molecular Weight

  • 387.428
 
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Names and Synonyms

Synonym

  • 4-Pentenylglucosinolate

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-5-hexenimidate)

Registry Numbers

CAS Registry Number

  • 19041-10-2

System Generated Number

  • 0019041102

Structure Descriptors

InChI

1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8+/t7-,9-,10+,11-,12+/m1/s1

InChIKey

XMJFVIGTHMOGNZ-KALKGZTMSA-N

Smiles

O1[C@@H](S\C(CCCC=C)=N\OS(=O)(=O)O)[C@@H]([C@@H](O)[C@@H]([C@H]1CO)O)O