KEGG   COMPOUND: C18695Help
Entry
C18695                      Compound                               

Name
Difethialone
Formula
C31H23BrO2S
Exact mass
538.0602
Mol weight
539.4821
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Pesticides [BR:br08007]
 Pesticides
  Rodenticides
   Coumarin rodenticides
    C18695  Difethialone
BRITE hierarchy
Other DBs
CAS: 
104653-34-1
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    22.3300  -16.3100
            2   C8y C    22.3300  -17.7100
            3   C8y C    23.5200  -18.4100
            4   C8y C    24.7100  -17.7100
            5   C8y C    24.7100  -16.3100
            6   S2x S    23.5200  -15.6100
            7   C8x C    21.1400  -15.6100
            8   C8x C    19.8800  -16.3100
            9   C8x C    19.8800  -17.7100
            10  C8x C    21.1400  -18.4100
            11  O5x O    25.9000  -15.6100
            12  O1a O    23.5200  -19.8100
            13  C1y C    25.9000  -18.4100
            14  C8y C    25.9000  -19.8100
            15  C8y C    27.1600  -20.5100
            16  C1x C    28.3500  -19.8100
            17  C1y C    28.3500  -18.4100
            18  C1x C    27.1600  -17.7100
            19  C8x C    24.7100  -20.5100
            20  C8x C    24.7100  -21.8400
            21  C8x C    25.9000  -22.5400
            22  C8x C    27.1600  -21.8400
            23  C8y C    29.5400  -17.7100
            24  C8x C    30.7300  -18.4100
            25  C8x C    31.9900  -17.7100
            26  C8y C    31.9900  -16.3100
            27  C8x C    30.8000  -15.6100
            28  C8x C    29.5400  -16.3100
            29  C8y C    33.1800  -15.6100
            30  C8x C    34.3700  -16.3100
            31  C8x C    35.6300  -15.6100
            32  C8y C    35.6300  -14.2100
            33  C8x C    34.4400  -13.5100
            34  C8x C    33.1800  -14.2100
            35  X   Br   36.8200  -13.5100
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    5  11 2
            13    3  12 1
            14    4  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   14  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   15  22 2
            26   17  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   23  28 1
            33   26  29 1
            34   29  30 2
            35   30  31 1
            36   31  32 2
            37   32  33 1
            38   33  34 2
            39   29  34 1
            40   32  35 1

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