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Tetrabromobisphenol A-[13C12]

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General Information
Catalog: BLP-004598
CAS: 132876-39-1
Molecular Formula: C3[13C]12H12Br4O2
Molecular Weight: 555.78

Chemical Structure

Synonyms	2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane-13C12; 2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane-13C12; 2,2',6,6'-Tetrabromobisphenol A-13C12; 3,3',5,5'-Tetrabromobisphenol A-13C12; 3,5,3',5'-Tetrabromobisphenol A-13C12; 4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]-13C12; 4,4'-Isopropylidenebis[2,6-dibromophenol]-13C12; NSC 59775-13C12
IUPAC Name	2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propan-2-yl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Related CAS	79-94-7 (unlabelled)
Canonical SMILES	CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
InChI	InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1
InChI Key	VEORPZCZECFIRK-ZGFLEIAISA-N