KEGG   COMPOUND: C14361
Entry
C14361                      Compound                               
Name
2,3,4,4'-Tetrachlorobiphenyl;
PCB 60
Formula
C12H6Cl4
Exact mass
289.9224
Mol weight
291.988
Structure
Other DBs
CAS: 33025-41-1
PubChem: 17395361
ChEBI: 34218
NIKKAJI: J397.566E
KCF data

ATOM        16
            1   C8x C    25.8026  -17.9693
            2   C8y C    25.8026  -19.3721
            3   C8x C    27.0175  -20.0735
            4   C8x C    28.2324  -19.3721
            5   C8y C    28.2324  -17.9693
            6   C8x C    27.0175  -17.2679
            7   C8y C    29.4659  -17.2569
            8   C8x C    30.6735  -17.9539
            9   C8x C    31.8883  -17.2524
            10  C8y C    31.8883  -15.8496
            11  C8y C    30.6807  -15.1526
            12  C8y C    29.4658  -15.8540
            13  X   Cl   28.2439  -15.1485
            14  X   Cl   30.6805  -13.7722
            15  X   Cl   33.0792  -15.1624
            16  X   Cl   24.5969  -20.0685
BOND        17
            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 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   11  14 1
            16   10  15 1
            17    2  16 1

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