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CAS RN 3952-98-5

KHO(R)O(S)SCH2NOSOOO(R)OH(S)HO(S)HO(E)

CAS RN 3952-98-5

IUPAC Name: potassium (E)-(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino sulfate
Synonyms: sinigrin
Molecular Weight (g/mol): 397.45
Molecular Formula: C10H16KNO9S2
InChi Key: QKFAFSGJTMHRRY-OCFLFPRFSA-M
SMILES: [K+].OC[C@H]1O[C@@H](S\C(CC=C)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
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