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Butadiene sulfone-[2,2,5,5-d4]

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General Information
Catalog: BLP-011064
CAS: 20966-34-1
Molecular Formula: C4H2D4O2S
Molecular Weight: 122.18

Chemical Structure

Synonyms	Butadiene sulfone-2,2,5,5-d4; Butadiene-2,2,5,5-D4 sulfone
IUPAC Name	2,2,5,5-tetradeuteriothiophene 1,1-dioxide
Related CAS	77-79-2 (unlabelled)
Isomeric SMILES	[2H]C1(C=CC(S1(=O)=O)([2H])[2H])[2H]
Canonical SMILES	C1C=CCS1(=O)=O
InChI	InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2/i3D2,4D2
InChI Key	MBDNRNMVTZADMQ-KHORGVISSA-N
Melting Point	67-68°C (lit.)
Purity	98% by CP; 98% atom D