245550-58-7

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245550-58-7 Structure

Identification	Back Directory
[Name] Glucobrassicanapin potassium salt
[CAS] 245550-58-7
[Synonyms] Glucobrassicanapin potassium salt
[Molecular Formula] C12H22KNO9S2
[MDL Number] MFCD31808253
[MOL File] 245550-58-7.mol
[Molecular Weight] 427.52

Chemical Properties	Back Directory
[storage temp. ] -20°C
[Major Application] food and beverages
[InChI] 1S/C12H21NO9S2.K/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;/h2,5,7,9-17H,1,3-4,6H2,(H,18,19,20);/q;+1/p-1
[InChIKey] OXRJEHDNQUTOTG-UHFFFAOYSA-M
[SMILES] [K+].[S](=O)(=O)([O-])ONC(=CCCC=C)SC1OC(C(C(C1O)O)O)CO

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H317
[Precautionary statements ] P280-P302+P352
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Skin Sens. 1

Hazard Information	Back Directory
[Uses] food and beverages

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