KEGG   COMPOUND: C18118
Entry
C18118                      Compound                               
Name
2,3',4,4',5-Pentachlorobiphenyl;
PCB 118
Formula
C12H5Cl5
Exact mass
323.8834
Mol weight
326.4331
Structure
Pathway
map00621  Dioxin degradation
Brite
Endocrine disrupting compounds [BR:br08006]
 Dioxins and dioxin-like compounds
  Mono-ortho PCBs
   C18118  2,3',4,4',5-Pentachlorobiphenyl (PCB 118)
Other DBs
CAS: 31508-00-6
PubChem: 96024335
ChEBI: 81520
NIKKAJI: J126.396J
KCF data

ATOM        17
            1   C8x C    20.8600  -27.0900
            2   C8x C    22.2600  -27.0900
            3   C8y C    22.9600  -25.9000
            4   C8x C    22.2600  -24.7100
            5   C8y C    20.8600  -24.7100
            6   C8y C    20.1600  -25.9000
            7   C8y C    24.3600  -25.9000
            8   C8x C    25.0600  -27.1600
            9   C8y C    26.4600  -27.1600
            10  C8y C    27.1600  -25.9000
            11  C8x C    26.4600  -24.7100
            12  C8y C    25.0600  -24.7100
            13  X   Cl   24.3600  -23.4500
            14  X   Cl   28.5600  -25.9000
            15  X   Cl   18.7600  -25.9000
            16  X   Cl   27.1600  -28.3500
            17  X   Cl   20.1649  -23.4947
BOND        18
            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   12  13 1
            15   10  14 1
            16    6  15 1
            17    9  16 1
            18    5  17 1

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