KEGG   COMPOUND: C18145
Entry
C18145                      Compound                               
Name
trans-Nonachlor
Formula
C10H5Cl9
Exact mass
439.7588
Mol weight
444.2237
Structure
Brite
Endocrine disrupting compounds [BR:br08006]
 Pesticides and herbicides
  Organochlorine pesticides
   C18145  trans-Nonachlor
Other DBs
CAS: 39765-80-5
PubChem: 96024362
ChEBI: 81540
PDB-CCD: 3WG[PDBj]
NIKKAJI: J653.361B
LinkDB
KCF data

ATOM        19
            1   C1z C    27.7211  -16.3812
            2   C1y C    28.9112  -17.0813
            3   C2y C    26.6010  -17.0813
            4   C2y C    26.6010  -18.4113
            5   C1z C    27.7211  -17.7113
            6   C1y C    28.9112  -18.4113
            7   C1z C    27.0911  -15.2612
            8   C1y C    30.1712  -18.7614
            9   C1y C    30.9413  -17.7113
            10  C1y C    30.1712  -16.6613
            11  X   Cl   30.5212  -15.4012
            12  X   Cl   32.2713  -17.7113
            13  X   Cl   28.3511  -14.9812
            14  X   Cl   27.7211  -19.0414
            15  X   Cl   25.4110  -16.3812
            16  X   Cl   25.9710  -19.5314
            17  X   Cl   27.6511  -13.7911
            18  X   Cl   26.1110  -14.3511
            19  X   Cl   30.6296  -20.0842
BOND        21
            1     1   2 1
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   7 1
            7     5   7 1
            8     2   6 1
            9     6   8 1
            10    8   9 1
            11    9  10 1
            12    2  10 1
            13   10  11 1 #Up
            14    9  12 1
            15    1  13 1 #Down
            16    5  14 1 #Up
            17    3  15 1
            18    4  16 1
            19    7  17 1
            20    7  18 1
            21    8  19 1 #Up

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