KEGG   COMPOUND: C11623
Entry
C11623                      Compound                               
Name
Triton X-100;
alpha-(4-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)
Formula
C14H22O(C2H4O)n
Structure
Remark
Same as: D05229
Other DBs
CAS: 9002-93-1
PubChem: 13788
ChEBI: 177811
NIKKAJI: J2.523.316F
KCF data

ATOM        18
            1   O1a O    31.5084  -18.2278
            2   C1b C    29.7279  -18.8442
            3   C1b C    28.5638  -18.2278
            4   O2a O    27.2626  -18.8442
            5   C8y C    25.5506  -18.2278
            6   C8x C    25.5506  -16.8582
            7   C8x C    24.3865  -16.2419
            8   C8y C    23.2223  -16.8582
            9   C8x C    23.2223  -18.2278
            10  C8x C    24.3865  -18.8442
            11  C1d C    22.1266  -16.2419
            12  C1a C    21.3734  -15.1462
            13  C1b C    20.9625  -16.8582
            14  C1d C    19.7983  -16.2419
            15  C1a C    22.7430  -15.0778
            16  C1a C    19.7983  -14.4584
            17  C1a C    18.7026  -16.8582
            18  C1a C    18.7026  -15.5571
BOND        18
            1     8   9 1
            2     9  10 2
            3    10   5 1
            4     2   3 1
            5     8  11 1
            6     1   2 1
            7    11  12 1
            8     3   4 1
            9    11  13 1
            10   13  14 1
            11    4   5 1
            12   11  15 1
            13    5   6 2
            14   14  16 1
            15    6   7 1
            16   14  17 1
            17    7   8 2
            18   14  18 1
BRACKET     1    26.4600  -19.4600   26.4600  -17.5700
            1    29.9600  -17.5700   29.9600  -19.4600
            1  n
 ORIGINAL  1    2   3   4
 REPEAT    1

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  All links  
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (4)   

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