KEGG   COMPOUND: C14471
Entry
C14471                      Compound                               
Name
4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl;
2,2',4',5,5'-Pentachloro-4-biphenylol
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Other DBs
CAS: 59512-50-4
PubChem: 17395471
ChEBI: 34416
NIKKAJI: J440.265K
LinkDB
KCF data

ATOM        18
            1   C8y C    25.7740  -17.3096
            2   C8y C    25.7740  -18.7101
            3   C8x C    26.9869  -19.4104
            4   C8y C    28.2000  -18.7101
            5   C8y C    28.2000  -17.3096
            6   C8x C    26.9869  -16.6094
            7   C8y C    29.4313  -16.5982
            8   C8x C    30.6372  -17.2943
            9   C8y C    31.8498  -16.5938
            10  C8y C    31.8498  -15.1932
            11  C8x C    30.6444  -14.4974
            12  C8y C    29.4312  -15.1977
            13  O1a O    33.0770  -14.4845
            14  X   Cl   24.5643  -19.4087
            15  X   Cl   28.2398  -14.5093
            16  X   Cl   33.0545  -17.2891
            17  X   Cl   29.4318  -19.4218
            18  X   Cl   24.5749  -16.6173
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   10  13 1
            15    2  14 1
            16   12  15 1
            17    9  16 1
            18    4  17 1
            19    1  18 1

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