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2,2-dimethyl-2-silapentane-5-sulfonate-[d6] sodium

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General Information
Catalog: BLP-008255
CAS: 284664-85-3
Molecular Formula: C6H9D6NaO3SSi
Molecular Weight: 224.36

Chemical Structure

Synonyms	sodium 2,2-dimethyl-2-silapentane-5-sulfonate-d6; sodium 3-(trimethylsilyl)propane-1-sulfonate-d6; 3-(Trimethylsilyl)-1-propanesulfonic acid-d6 sodium salt; 3-(Trimethylsilyl)-1-propane-1,1,2,2,3,3-d6-sulfonic Acid Sodium Salt; DSS-d6
IUPAC Name	sodium;1,1,2,2,3,3-hexadeuterio-3-trimethylsilylpropane-1-sulfonate
Related CAS	2039-96-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])[Si](C)(C)C)C([2H])([2H])S(=O)(=O)[O-].[Na+]
Canonical SMILES	C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1/i4D2,5D2,6D2;
InChI Key	HWEXKRHYVOGVDA-CHBZFOKHSA-M
Melting Point	>120°C (dec.)
Purity	98%; >99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C under inert atmosphere