KEGG   COMPOUND: C11027Help
Entry
C11027                      Compound                               

Name
Coumaphos syn-dimer
Formula
C28H32Cl2O10P2S2
Exact mass
724.0289
Mol weight
725.5312
Structure
Mol fileKCF fileDB searchJmolKegDraw
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KCF data Show

ATOM        44
            1   O2b O    19.7837  -22.6164
            2   C1b C    19.7766  -24.0166
            3   C1a C    20.9866  -24.7261
            4   O2b O    22.2105  -22.6286
            5   P1a P    21.0006  -21.9260
            6   C7x C    27.7550  -17.1849
            7   O7x O    28.9714  -16.4883
            8   C8y C    30.1806  -17.1849
            9   C8y C    30.1747  -18.5850
            10  C8x C    31.3781  -19.2937
            11  C8x C    32.5945  -18.5953
            12  C8y C    32.6005  -17.1952
            13  C8x C    31.3901  -16.4936
            14  C1z C    27.7550  -18.5850
            15  C1z C    28.9714  -19.2886
            16  C1z C    28.2773  -20.5023
            17  C1z C    27.0514  -19.8014
            18  O7x O    27.0683  -22.6203
            19  C7x C    28.2855  -21.9118
            20  C8y C    25.8424  -21.9263
            21  C8y C    25.8415  -20.5214
            22  C8x C    24.6305  -19.8161
            23  C8x C    24.6322  -22.6260
            24  O2b O    33.8056  -16.4954
            25  P1a P    35.0158  -17.1849
            26  O6a O    29.4929  -22.6024
            27  X   Cl   29.4858  -21.1952
            28  C1a C    25.8343  -19.0987
            29  C1a C    30.1752  -19.9851
            30  X   Cl   26.5379  -17.8885
            31  O6a O    26.5379  -16.4883
            32  C8y C    23.4085  -21.9270
            33  C8x C    23.4085  -20.5339
            34  O2b O    20.9937  -20.5339
            35  C1b C    19.7864  -19.8338
            36  C1a C    18.5791  -20.5339
            37  S0  S    22.2039  -21.2093
            38  O2b O    35.0158  -18.5779
            39  C1b C    36.2259  -19.2815
            40  C1a C    37.4360  -18.5710
            41  O2b O    36.2259  -16.4883
            42  C1b C    36.2259  -15.0953
            43  C1a C    35.0087  -14.3918
            44  S0  S    33.7987  -17.8814
BOND        48
            1     6  14 1
            2     8   9 2
            3    20  21 2
            4    21  22 1
            5    22  33 2
            6    32  23 2
            7    23  20 1
            8     9  10 1
            9    12  24 1
            10   10  11 2
            11   24  25 1
            12   11  12 1
            13   19  26 2
            14   12  13 2
            15   16  27 1 #Up
            16   13   8 1
            17   17  28 1 #Up
            18   15   9 1
            19   15  29 1 #Up
            20    8   7 1
            21   14  30 1 #Up
            22   17  14 1
            23    6  31 2
            24   14  15 1
            25   15  16 1
            26    4  32 1
            27   32  33 1
            28    7   6 1
            29    2   3 1
            30    4   5 1
            31    5  34 1
            32   34  35 1
            33   35  36 1
            34    5   1 1
            35    5  37 2
            36   16  17 1
            37   25  38 1
            38   17  21 1
            39   38  39 1
            40   20  18 1
            41   39  40 1
            42   18  19 1
            43   25  41 1
            44   19  16 1
            45   41  42 1
            46   42  43 1
            47    1   2 1
            48   25  44 2

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