Ketcher 07281715162D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
   10.7816   -4.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9156   -4.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6476   -4.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9156   -5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0495   -4.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6476   -5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5136   -4.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1835   -4.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0495   -6.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5136   -6.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3796   -4.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1835   -5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3796   -5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0495   -3.4880    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.2456   -4.4880    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3174   -6.4880    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.2456   -6.4880    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  2  2  0     0  0
  6  3  1  0     0  0
  7  3  2  0     0  0
  9  4  2  0     0  0
  8  5  1  0     0  0
 14  5  1  0     0  0
 10  6  2  0     0  0
 11  7  1  0     0  0
 12  8  2  0     0  0
 12  9  1  0     0  0
 13 10  1  0     0  0
 13 11  2  0     0  0
 15 11  1  0     0  0
 16 12  1  0     0  0
 17 13  1  0     0  0
M  END
> <ID>
CHEBI:138038

> <NAME>
2,4-dibromophenyl 3,4-dibromophenyl ether

> <DEFINITION>
A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 3', and 4' positions have been replaced by bromines.

> <STAR>
3

> <SYNONYM>
PBDE-66; PBDE 66; BDE-66; BDE 66; 2,4-dibromo-1-(3,4-dibromophenoxy)benzene; 2,4,3',4`-tetrabromodiphenyl ether; 2,3',4,4'-tetrabromodiphenyl ether; 2,3',4,4'-tetra-BDE

> <IUPAC_NAME>
1,2-dibromo-4-(2,4-dibromophenoxy)benzene

> <FORMULA>
C12H6Br4O

> <MASS>
485.790

> <MONOISOTOPIC_MASS>
481.71522

> <CHARGE>
0

> <SMILES>
O(C=1C=CC(=CC1Br)Br)C=2C=CC(=C(C2)Br)Br

> <INCHI>
InChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H

> <INCHIKEY>
DHUMTYRHKMCVAG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
189084-61-5

> <REAXYS_REGISTRY_NUMBER>
8417297

> <CHEMIDPLUS>
189084-61-5

> <NIST_CHEMISTRY_WEBBOOK>
189084-61-5

> <PUBMED_CITATION>
24290225; 26194239; 26942685; 28013469; 28293827

$$$$