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BDE 118-[13C12]

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General Information
Catalog: BLP-003396
CAS: 849681-95-4
Molecular Formula: [13C]12H5Br5O
Molecular Weight: 576.60

Chemical Structure

Description	BDE 118-[13C12] is a labelled analogue of BDE 118.
Synonyms	2,3',4,4',5-Pentabromodiphenyl ether 13C12
IUPAC Name	1,2,4-tribromo-5-(3,4-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS	446254-80-4 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1OC2=CC(=C(C=C2Br)Br)Br)Br)Br
InChI	InChI=1S/C12H5Br5O/c13-7-2-1-6(3-8(7)14)18-12-5-10(16)9(15)4-11(12)17/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChI Key	VTMFEPLDDHZBGI-WCGVKTIYSA-N