KEGG   COMPOUND: C14201
Entry
C14201                      Compound                               
Name
2,2',4,4',5,5'-Hexachlorobiphenyl;
PCB 153
Formula
C12H4Cl6
Exact mass
357.8444
Mol weight
360.8782
Structure
Other DBs
CAS: 35065-27-1
PubChem: 7847011
ChEBI: 34202
NIKKAJI: J36.115A
KCF data

ATOM        18
            1   C8y C    29.3907  -15.1677
            2   C8y C    28.3791  -18.6980
            3   C8y C    31.7869  -16.4750
            4   C8y C    25.8429  -17.3908
            5   C8y C    29.3713  -16.5623
            6   C8y C    28.3284  -17.3033
            7   C8x C    30.5733  -14.4267
            8   C8x C    27.1265  -19.4391
            9   C8x C    30.6742  -17.2160
            10  C8x C    27.0256  -16.6497
            11  C8y C    31.8063  -15.0803
            12  C8y C    25.8236  -18.7853
            13  X   Cl   29.5423  -19.3924
            14  X   Cl   24.6315  -16.7093
            15  X   Cl   24.6230  -19.5145
            16  X   Cl   28.1831  -14.4885
            17  X   Cl   33.0221  -14.3188
            18  X   Cl   33.0585  -17.1115
BOND        19
            1     1   5 2
            2     1   7 1
            3     2   6 2
            4     2   8 1
            5     3   9 2
            6     3  11 1
            7     4  10 2
            8     4  12 1
            9     5   6 1
            10    5   9 1
            11    6  10 1
            12    7  11 2
            13    8  12 2
            14    2  13 1
            15    4  14 1
            16   12  15 1
            17    1  16 1
            18   11  17 1
            19    3  18 1

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