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Endosulfan Sulfate-[d4]

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General Information
Catalog: BLP-005303
Molecular Formula: C9H2D4Cl6O4S
Molecular Weight: 426.93

Chemical Structure

Description	Endosulfan Sulfate-[d4] is the labelled analogue of Endosulfan Sulfate. Endosulfan sulfate is a major metabolite of endosulfan, a broad-spectrum organochlorine insecticide that is used in the control and protection of plant and vegetation.
Synonyms	Endosulfan Sulfate D4
IUPAC Name	(1R,2S,8R,9R)-1,9,10,11,12,12-hexachloro-3,3,7,7-tetradeuterio-4,6-dioxa-5λ6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide
Related CAS	1031-07-8 (unlabelled)
Canonical SMILES	C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI	InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8-/m1/s1/i1D2,2D2
InChI Key	AAPVQEMYVNZIOO-NIBOURKTSA-N
Boiling Point	480.7±45.0°C at 760 mmHg
Density	1.9±0.1 g/cm3
Solubility	Soluble in Chloroform, DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C, Under inert atmosphere