KEGG   COMPOUND: C15213
Entry
C15213                      Compound                               
Name
2,2',3',4,4',5,5'-Heptachloro-3-biphenylol
Formula
C12H3Cl7O
Exact mass
407.8004
Mol weight
411.3226
Structure
Other DBs
PubChem: 17396210
ChEBI: 79726
NIKKAJI: J1.880.701G
KCF data

ATOM        20
            1   C8y C    23.4526  -20.3663
            2   C8y C    23.4526  -21.7659
            3   C8y C    24.6646  -22.4656
            4   C8y C    25.8769  -21.7659
            5   C8y C    25.8769  -20.3663
            6   C8x C    24.6646  -19.6664
            7   C8y C    27.1076  -19.6554
            8   C8x C    28.3125  -20.3509
            9   C8y C    29.5245  -19.6510
            10  C8y C    29.5245  -18.2514
            11  C8y C    28.3196  -17.5558
            12  C8y C    27.1075  -18.2557
            13  X   Cl   30.7559  -20.3616
            14  X   Cl   27.1076  -22.4767
            15  X   Cl   22.2405  -22.4656
            16  X   Cl   25.8940  -17.5551
            17  X   Cl   22.2730  -19.6857
            18  O1a O    28.3199  -16.1703
            19  X   Cl   30.7403  -17.5493
            20  X   Cl   24.6646  -23.8698
BOND        21
            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    9  13 1
            15    4  14 1
            16    2  15 1
            17   12  16 1
            18    1  17 1
            19   11  18 1
            20   10  19 1
            21    3  20 1

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