KEGG   COMPOUND: C11059
Entry
C11059                      Compound                               
Name
1,3,6,8-Tetrachlorodibenzo-p-dioxin;
1,3,6,8-Tetrachlorodibenzodioxin;
1,3,6,8-TCDD
Formula
C12H4Cl4O2
Exact mass
319.8965
Mol weight
321.971
Structure
Other DBs
CAS: 33423-92-6
PubChem: 13241
ChEBI: 27936
NIKKAJI: J74.779C
LinkDB
KCF data

ATOM        18
            1   C8y C    23.6817  -17.4409
            2   C8y C    23.6817  -16.1738
            3   O2x O    24.9057  -18.1975
            4   C8y C    22.4505  -18.1975
            5   O2x O    24.9057  -15.4103
            6   C8x C    22.4505  -15.4103
            7   C8y C    26.0953  -17.4409
            8   C8x C    21.2426  -17.4409
            9   X   Cl   22.4505  -19.6203
            10  C8y C    26.0953  -16.0635
            11  C8y C    21.2426  -16.1738
            12  C8x C    27.3484  -18.1975
            13  C8y C    27.3484  -15.4103
            14  X   Cl   19.9899  -15.5240
            15  C8y C    28.5666  -17.4409
            16  C8x C    28.5666  -16.1738
            17  X   Cl   27.3484  -13.9945
            18  X   Cl   29.8362  -18.0908
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 2
            15   13  16 2
            16   13  17 1
            17   15  18 1
            18    7  10 2
            19    8  11 1
            20   15  16 1

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