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5-Sulfooxymethylfurfural-[13C6] Sodium Salt

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General Information
Catalog: BLP-003079
CAS: 1329613-50-4
Molecular Formula: [13C]6H5NaO6S
Molecular Weight: 234.11

Chemical Structure

Description	A labelled analogue of 5-Sulfooxymethylfurfural Sodium Salt.
Synonyms	5-[(Sulfooxy)methyl]-2-furancarboxaldehyde-13C6 Sodium Salt; SMF-13C6
IUPAC Name	sodium;[5-(oxo(1-13C)methyl)(2,3,4,5-13C4)furan-2-yl](1-13C)methyl sulfate
Related CAS	1330171-28-2 (unlabelled)
Canonical SMILES	C1=C(OC(=C1)C=O)COS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C6H6O6S.Na/c7-3-5-1-2-6(12-5)4-11-13(8,9)10;/h1-3H,4H2,(H,8,9,10);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1,6+1;
InChI Key	KTRGQDPJPVHDGB-BVNCJLROSA-M
Purity	> 98%