23665884
  -OEChem-04252406502D

 50 48  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 Na  0  3  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
   12.3923   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -0.4749    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
   11.9248    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.9749    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
   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
   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
   10.1928    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   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
    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
   17.1210    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2785   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8985    0.5369    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  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
M  CHG  2   2   1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23665884

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
290

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAABAAAAAAAADAAAAAAAAAAAAAAAAABAAIAAAACAAAEAAACAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2-dodecoxyethyl sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2-dodecoxyethyl sulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2-dodecoxyethyl sulfate

> <PUBCHEM_IUPAC_NAME>
sodium;2-dodecoxyethyl sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-dodecoxyethyl sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;2-lauryloxyethyl sulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
ASEFUFIKYOCPIJ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
332.16333948

> <PUBCHEM_MOLECULAR_FORMULA>
C14H29NaO5S

> <PUBCHEM_MOLECULAR_WEIGHT>
332.43

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

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

> <PUBCHEM_CACTVS_TPSA>
84

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
332.16333948

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$