KEGG   COMPOUND: C14379
Entry
C14379                      Compound                               
Name
4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl;
2',3,3',5',6'-Pentachloro-4-biphenylol
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Other DBs
PubChem: 17395379
NIKKAJI: J855.491I
LinkDB
KCF data

ATOM        18
            1   C8y C    25.8239  -17.2892
            2   C8x C    25.8239  -18.6883
            3   C8y C    27.0355  -19.3878
            4   C8y C    28.2472  -18.6883
            5   C8y C    28.2472  -17.2892
            6   C8y C    27.0355  -16.5898
            7   C8y C    29.4774  -16.5786
            8   C8x C    30.6820  -17.2739
            9   C8x C    31.8934  -16.5742
            10  C8y C    31.8934  -15.1751
            11  C8y C    30.6891  -14.4799
            12  C8x C    29.4773  -15.1795
            13  X   Cl   29.4826  -19.4019
            14  O1a O    33.1192  -14.4671
            15  X   Cl   27.0351  -20.8240
            16  X   Cl   30.6892  -13.1121
            17  X   Cl   27.0360  -15.2207
            18  X   Cl   24.6187  -16.5933
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     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    4  13 1
            15   10  14 1
            16    3  15 1
            17   11  16 1
            18    6  17 1
            19    1  18 1

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