Products 870247-99-7

CAS 870247-99-7 is the registry number for rel-(3R,4R,7S,8R,11R,12S)-3,4,7,8,11,12-Hexabromocyclododecane-D18. Offered by: TRC. Available pack sizes: 50mg.

rel-(3R,4R,7S,8R,11R,12S)-3,4,7,8,11,12-Hexabromocyclododecane-D18
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromo-1,2,3,3,4,4,5,6,7,7,8,8,9,10,11,11,12,12-octadecadeuteriocyclododecane (CAS 870247-99-7) is a chemical compound with the molecular formula C12H18Br6 and a molecular weight of 659.8 g/mol. IUPAC name: (1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromo-1,2,3,3,4,4,5,6,7,7,8,8,9,10,11,11,12,12-octadecadeuteriocyclododecane. InChIKey: DEIGXXQKDWULML-XBOADMFLSA-N.

Identity
Molecular formulaC12H18Br6
Molecular weight659.8 g/mol
IUPAC name(1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromo-1,2,3,3,4,4,5,6,7,7,8,8,9,10,11,11,12,12-octadecadeuteriocyclododecane
InChIKeyDEIGXXQKDWULML-XBOADMFLSA-N
SMILES[2H][C@]1([C@](C(C([C@@]([C@@](C(C([C@@]([C@](C(C1([2H])[2H])([2H])[2H])([2H])Br)([2H])Br)([2H])[2H])([2H])[2H])([2H])Br)([2H])Br)([2H])[2H])([2H])[2H])([2H])Br)Br

Computed by PubChem (NCBI)

Synonyms: rel-(3R,4R,7S,8R,11R,12S)-3,4,7,8,11,12-Hexabromocyclododecane-D18
Related forms of this compound
(1R,2R,5S,6R,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane C12H18Br6
1,2,5,6,9,10-hexabromocyclododecane C12H18Br6
(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane C12H18Br6
(1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane C12H18Br6
(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-hexabromo(1,2,3,4,5,6,7,8,9,10,11,12-13C12)cyclododecane C12H18Br6
Isomers (same molecular formula)
1,3,5,7,9,11-hexabromocyclododecane C12H18Br6