23682189
  -OEChem-04232422062D

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    9.7942    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5167   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9870   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7880    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4579   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5201    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3861   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1831   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0492    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2521    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2067   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0536   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6636    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
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  5 27  1  0  0  0  0
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  6 29  1  0  0  0  0
 10 11  1  0  0  0  0
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 26 27  1  0  0  0  0
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 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
M  CHG  2   2   1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23682189

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
402

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAABAAAAAAAADAAAAAAAAAAAAAAAAABAAIAAAACAAAEAAACAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate

> <PUBCHEM_IUPAC_NAME>
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;2-[2-(2-myristyloxyethoxy)ethoxy]ethyl sulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
MDSQKJDNWUMBQQ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
448.24706910

> <PUBCHEM_MOLECULAR_FORMULA>
C20H41NaO7S

> <PUBCHEM_MOLECULAR_WEIGHT>
448.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
448.24706910

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
2  7  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$