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trans,trans-Muconic acid-[13C6]

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General Information
Catalog: BLP-000246
Molecular Formula: [13C]6H6O4
Molecular Weight: 148.07

Chemical Structure

Description	trans,trans-Muconic Acid-[13C6] is labelled trans,trans-Muconic Acid, which is a metabolite found in urine, which determines biological exposure index for workers exposed to Benzene.
Synonyms	trans,trans-2,4-Hexadienedioic acid-13C6; trans,trans-Muconic acid-13C6
IUPAC Name	(2E,4E)-(1,2,3,4,5,6-13C6)hexa-2,4-dienedioic acid
Related CAS	3588-17-8 (unlabelled)
Canonical SMILES	C(=CC(=O)O)C=CC(=O)O
InChI	InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	TXXHDPDFNKHHGW-KKNQWOTISA-N
Purity	≥98% (CP); ≥99% atom 13C