KEGG   COMPOUND: C18142Help
Entry
C18142                      Compound                               

Name
Perfluorooctanesulfonic acid;
Perfluorooctylsulfonic acid;
PFOS
Formula
C8HF17O3S
Exact mass
499.9375
Mol weight
500.1296
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
1763-23-1
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   X   F     9.2400  -25.8300
            2   C1d C    10.4524  -26.5300
            3   C1d C    11.6479  -25.8396
            4   C1d C    12.8353  -26.5251
            5   C1d C    14.0265  -25.8371
            6   C1d C    15.2160  -26.5238
            7   C1d C    16.4061  -25.8365
            8   C1d C    17.5962  -26.5235
            9   C1d C    18.7860  -25.8363
            10  S4a S    19.9762  -26.5234
            11  X   F    10.9479  -24.6272
            12  X   F    12.3479  -24.6272
            13  X   F    12.1353  -27.7375
            14  X   F    13.5353  -27.7375
            15  X   F    13.3265  -24.6247
            16  X   F    14.7265  -24.6247
            17  X   F    14.5160  -27.7362
            18  X   F    15.9160  -27.7362
            19  X   F    16.8962  -27.7359
            20  X   F    18.2962  -27.7359
            21  X   F    15.7061  -24.6241
            22  X   F    17.1061  -24.6241
            23  X   F    18.0860  -24.6239
            24  X   F    19.4860  -24.6239
            25  X   F    10.4525  -27.9298
            26  X   F     9.2400  -27.2300
            27  O1d O    21.1660  -25.8362
            28  O1d O    19.9764  -27.9298
            29  O1d O    21.1886  -27.2234
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    3  11 1
            11    3  12 1
            12    4  13 1
            13    4  14 1
            14    5  15 1
            15    5  16 1
            16    6  17 1
            17    6  18 1
            18    8  19 1
            19    8  20 1
            20    7  21 1
            21    7  22 1
            22    9  23 1
            23    9  24 1
            24    2  25 1
            25    2  26 1
            26   10  27 2
            27   10  28 2
            28   10  29 1

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