Mrv0541 05231414212D          

 19 19  0  0  1  0            999 V2000
   12.5541   -4.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8396   -4.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8396   -5.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5541   -6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2685   -5.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2685   -4.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9830   -4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6974   -4.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4119   -4.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1264   -4.8815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3446   -4.8584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1252   -6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4107   -5.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6962   -6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9818   -5.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5482   -6.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -6.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6961   -6.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9817   -6.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1  3   8   9  10
M  SDI   1  4   16.6202   -4.4596   16.6358   -5.2844
M  SDI   1  4   14.1970   -5.0689   14.6095   -4.3544
M  SBL   1  2   8  11
M  SMT   1 n
M  END
> <ID>
CHEBI:9750

> <NAME>
Triton X-100

> <DEFINITION>
A poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-(2,4,4-trimethylpentan-3-yl)phenyl ether.

> <STAR>
3

> <SYNONYM>
Polyoxyethylene mono(octylphenyl) ether; Polyoxyethylene 4-(1,1,3,3-tetramethylbutyl)phenyl ether; Polyethylene glycol mono(p-tert-octylphenyl) ether; Polyethylene glycol mono(p-(1,1,3,3-tetramethylbutyl)phenyl) ether; Poly(oxyethylene)-p-tert-octylphenyl ether; Peg 4-tert-octylphenyl ether; Peg 4-isooctylphenyl ether; Peg (p-(1,1,3,3-tetramethylbutyl)phenyl) ether; Octoxynol 9; 4-tert-Octylphenyl peg ether; 4-(1,1,3,3-Tetramethylbutyl)phenyl hydroxypoly(oxyethylene)

> <INN>
octoxinolum; octoxinol

> <FORMULA>
(C2H4O)nC14H22O

> <CHARGE>
0

> <BEILSTEIN_REGISTRY_NUMBER>
8299849

> <CAS_REGISTRY_NUMBER>
9002-93-1

> <CHEMIDPLUS>
9002-93-1

> <KEGG_DRUG_ACCESSION>
D05229

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