KEGG   COMPOUND: C14528
Entry
C14528                      Compound                               

Name
Tetrachlorobisphenol A;
3,3',5,5'-Tetrachlorobisphenol A;
Tetrachlorodian;
2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane
Formula
C15H12Cl4O2
Exact mass
363.9591
Mol weight
366.0666
Structure
Other DBs
CAS: 79-95-8
PubChem: 17395528
ChEBI: 35004
ChEMBL: CHEMBL1738928
PDB-CCD: XDH[PDBj]
NIKKAJI: J53.760H
KCF data

ATOM        21
            1   C8y C    19.8347  -16.6907
            2   C8y C    19.8347  -18.0665
            3   C8y C    21.0041  -18.7544
            4   C8x C    22.1736  -18.0665
            5   C8y C    22.1736  -16.6907
            6   C8x C    21.0041  -16.0028
            7   O1a O    18.5964  -18.6857
            8   C1d C    23.4118  -16.0028
            9   C8y C    24.5812  -16.6907
            10  C1a C    22.1736  -15.3149
            11  C1a C    24.5812  -15.3149
            12  C8x C    24.5812  -18.0665
            13  C8y C    25.7507  -18.7544
            14  C8y C    26.9889  -18.0665
            15  C8y C    26.9889  -16.6907
            16  C8x C    25.7507  -16.0028
            17  O1a O    28.1583  -18.7544
            18  X   Cl   18.5874  -15.9778
            19  X   Cl   21.0041  -20.1600
            20  X   Cl   25.7333  -20.1597
            21  X   Cl   28.2322  -15.9596
BOND        22
            1     2   3 1
            2     8   9 1
            3     3   4 2
            4     8  10 1
            5     4   5 1
            6     8  11 1
            7     5   6 2
            8     6   1 1
            9     2   7 1
            10    1   2 2
            11    9  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16   9 1
            17    5   8 1
            18   14  17 1
            19    1  18 1
            20    3  19 1
            21   13  20 1
            22   15  21 1

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