159866
  -OEChem-04192408582D

 62 61  0     0  0  0  0  0  0999 V2000
   15.5273   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5929   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3899   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2560    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4589    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5239    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7269    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3249   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1220   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8608   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9880    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1910    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7919    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9948    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1455   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9925   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7655    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0598    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2628    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 62  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
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 19 50  1  0  0  0  0
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 20 53  1  0  0  0  0
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 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
159866

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
216

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
21

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAACAAAEAAADAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

> <PUBCHEM_IUPAC_NAME>
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
MJELOWOAIAAUJT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.3

> <PUBCHEM_EXACT_MASS>
350.26683893

> <PUBCHEM_MOLECULAR_FORMULA>
C18H38O6

> <PUBCHEM_MOLECULAR_WEIGHT>
350.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCOCCOCCOCCOCCOCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCOCCOCCOCCOCCOCCO

> <PUBCHEM_CACTVS_TPSA>
66.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.26683893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$