KEGG   COMPOUND: C18115
Entry
C18115                      Compound                               
Name
3,4,5,3',4',5'-Hexachlorobiphenyl;
PCB 169
Formula
C12H4Cl6
Exact mass
357.8444
Mol weight
360.8782
Structure
Pathway
map00621  Dioxin degradation
Brite
Endocrine disrupting compounds [BR:br08006]
 Dioxins and dioxin-like compounds
  Non-ortho (coplanar) PCBs
   C18115  3,4,5,3',4',5'-Hexachlorobiphenyl (PCB 169)
Other DBs
CAS: 32774-16-6
PubChem: 96024332
ChEBI: 81517
NIKKAJI: J79.027C
LinkDB
KCF data

ATOM        18
            1   C8y C    20.9300  -27.1600
            2   C8x C    22.3300  -27.1600
            3   C8y C    22.9600  -25.9700
            4   C8x C    22.3300  -24.7800
            5   C8y C    20.9300  -24.7800
            6   C8y C    20.2300  -25.9700
            7   C8y C    24.3600  -25.9700
            8   C8x C    25.1300  -27.1600
            9   C8y C    26.5300  -27.1600
            10  C8y C    27.1600  -25.9700
            11  C8y C    26.4600  -24.7800
            12  C8x C    25.0600  -24.7800
            13  X   Cl   20.1600  -23.5200
            14  X   Cl   18.8300  -25.9700
            15  X   Cl   27.2300  -23.5200
            16  X   Cl   28.5600  -25.9700
            17  X   Cl   27.1600  -28.3500
            18  X   Cl   20.2349  -28.3753
BOND        19
            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     3   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    5  13 1
            15    6  14 1
            16   11  15 1
            17   10  16 1
            18    9  17 1
            19    1  18 1

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