KEGG   COMPOUND: C11044
Entry
C11044                      Compound                               
Name
2,2',4,4',5-Pentachlorodiphenyl ether;
1,2,4-Trichloro-5-(2,4-dichlorophenoxy)benzene
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Other DBs
CAS: 60123-64-0
PubChem: 13227
NIKKAJI: J746.351K
LinkDB
KCF data

ATOM        18
            1   C8x C    24.3600  -18.8300
            2   C8y C    24.3600  -20.2300
            3   C8x C    25.6200  -20.9300
            4   C8x C    26.8100  -20.2300
            5   C8y C    26.8100  -18.8300
            6   C8y C    25.6200  -18.1300
            7   O2a O    28.0700  -18.1300
            8   C8y C    29.2600  -18.8300
            9   C8x C    29.2600  -20.2300
            10  C8y C    30.4500  -20.9300
            11  C8y C    31.6400  -20.2300
            12  C8x C    31.6400  -18.8300
            13  C8y C    30.4500  -18.1300
            14  X   Cl   25.6200  -16.7300
            15  X   Cl   23.1700  -20.9300
            16  X   Cl   30.4500  -16.7300
            17  X   Cl   30.4500  -22.3300
            18  X   Cl   32.9000  -20.9300
BOND        19
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   1 1
            5     8   9 2
            6     9  10 1
            7    10  11 2
            8    11  12 1
            9    12  13 2
            10   13   8 1
            11    6  14 1
            12    5   7 1
            13    2  15 1
            14    1   2 2
            15   13  16 1
            16    7   8 1
            17    2   3 1
            18   10  17 1
            19   11  18 1

» Japanese version

DBGET integrated database retrieval system