78933
  CDK     1019211303

 25 24  0  0  0  0  0  0  0  0999 V2000
   10.6668    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9538    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6682   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2393   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3827    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5248    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0973   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8103   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8117    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0958    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5262   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2407    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
  4 23  1  0  0  0  0 
  4 24  1  0  0  0  0 
  5 25  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 18 19  1  0  0  0  0 
 20 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:181087

> <NAME>
Tetraethylene glycol monododecyl ether

> <STAR>
2

> <IUPAC_NAME>
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethanol

> <FORMULA>
C20H42O5

> <MASS>
362.551

> <MONOISOTOPIC_MASS>
362.30322

> <CHARGE>
0

> <SMILES>
O(CCCCCCCCCCCC)CCOCCOCCOCCO

> <INCHI>
InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3

> <INCHIKEY>
WPMWEFXCIYCJSA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5274-68-0

> <CHEMIDPLUS>
5274-68-0

$$$$