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Salicylate-[U-Ring-13C6] sodium salt

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General Information
Catalog: BLP-001569
Molecular Formula: C[13C]6H5O3Na
Molecular Weight: 166.06

Chemical Structure

Description	Labelled Salicylate sodium salt. Sodium salicylate is used in medicine as an analgesic and antipyretic.
Synonyms	[U-ring-13C6]-Hydroxybenzoic acid sodium salt
IUPAC Name	sodium;6-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
Related CAS	54-21-7 (unlabelled)
Canonical SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
InChI	InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1,6+1;
InChI Key	ABBQHOQBGMUPJH-BVNCJLROSA-M
Purity	98%; 99% atom 13C
Appearance	Beige solid