123921
  -OEChem-05072417022D

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   23.3215   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   28.5177   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3837    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6517    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2497   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7856   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1158    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9196    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9818   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0536   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8478    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1876    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7139   -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
   21.5895   -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
   18.9914    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
   16.3933   -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
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    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
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   12.4617    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7987   -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
    9.0666   -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
    8.9976    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
    7.2656    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
    5.6025   -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
    3.8705   -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
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    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
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 12 14  1  0  0  0  0
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 12 43  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 47  1  0  0  0  0
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 15 48  1  0  0  0  0
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 16 18  1  0  0  0  0
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 17 53  1  0  0  0  0
 18 20  1  0  0  0  0
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 19 21  1  0  0  0  0
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 21 61  1  0  0  0  0
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 37 94  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
123921

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
389

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
34

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAACAAAEAAADAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YYELLDKEOUKVIQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.1

> <PUBCHEM_EXACT_MASS>
538.40808342

> <PUBCHEM_MOLECULAR_FORMULA>
C28H58O9

> <PUBCHEM_MOLECULAR_WEIGHT>
538.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

> <PUBCHEM_CACTVS_TPSA>
94.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
538.40808342

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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

$$$$