KEGG   COMPOUND: C18139
Entry
C18139                      Compound                               
Name
2,2',3,3',4',5,6'-Heptabromodiphenyl ether;
1,2,3,5-Tetrabromo-4-(2,3,5-tribromophenoxy)-benzene;
BDE 175
Formula
C12H3Br7O
Exact mass
715.4468
Mol weight
722.4796
Structure
Other DBs
PubChem: 96024356
ChEBI: 81536
NIKKAJI: J248.357B
LinkDB
KCF data

ATOM        20
            1   C8y C    20.0200  -25.2000
            2   C8y C    20.0200  -26.6000
            3   C8x C    21.2100  -27.3000
            4   C8y C    22.4000  -26.6000
            5   C8y C    22.4000  -25.2000
            6   C8y C    21.2100  -24.5000
            7   O2a O    23.6600  -24.5000
            8   C8y C    24.8500  -25.1300
            9   C8x C    24.8500  -26.6000
            10  C8y C    26.1100  -27.3000
            11  C8x C    27.3000  -26.6000
            12  C8y C    27.3000  -25.1300
            13  C8y C    26.1100  -24.4300
            14  X   Br   21.2100  -23.1000
            15  X   Br   26.1100  -28.7000
            16  X   Br   23.5900  -27.3000
            17  X   Br   18.8300  -27.3000
            18  X   Br   18.8047  -24.5049
            19  X   Br   26.1272  -23.0301
            20  X   Br   28.5153  -24.4349
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    6  14 1
            16   10  15 1
            17    4  16 1
            18    2  17 1
            19    1  18 1
            20   13  19 1
            21   12  20 1

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