
 Tetradecyl dihydrogen phosphate

 50 49  0  0  0  0  0  0  0  0999 V2000
    0.8977   -0.1237   -0.0616 C   0  0  0  0  0
    2.4162   -0.0805   -0.0012 C   0  0  0  0  0
    2.9400    1.3547   -0.0516 C   0  0  0  0  0
    4.4680    1.3879    0.0002 C   0  0  0  0  0
    4.9988    2.8220   -0.0334 C   0  0  0  0  0
    6.5279    2.8461    0.0041 C   0  0  0  0  0
    7.0653    4.2776   -0.0137 C   0  0  0  0  0
    8.5948    4.2964    0.0052 C   0  0  0  0  0
    9.1322    5.7280   -0.0030 C   0  0  0  0  0
   10.6620    5.7522   -0.0037 C   0  0  0  0  0
   11.1895    7.1875   -0.0054 C   0  0  0  0  0
   12.7184    7.2256   -0.0185 C   0  0  0  0  0
   13.2313    8.6643   -0.0091 C   0  0  0  0  0
   14.7526    8.7260   -0.0231 C   0  0  0  0  0
   15.1454   10.0889   -0.0006 O   0  0  0  0  0
   16.7142   10.3803   -0.0744 P   0  0  0  0  0
   17.5837    9.6905    0.9163 O   0  0  0  0  0
   17.0981   10.1790   -1.6083 O   0  0  0  0  0
   16.8130   11.9701    0.0420 O   0  0  0  0  0
    0.5466   -1.1595   -0.0195 H   0  0  0  0  0
    0.5295    0.3223   -0.9909 H   0  0  0  0  0
    0.4557    0.4193    0.7797 H   0  0  0  0  0
    2.8258   -0.6564   -0.8393 H   0  0  0  0  0
    2.7531   -0.5670    0.9217 H   0  0  0  0  0
    2.5301    1.9253    0.7906 H   0  0  0  0  0
    2.5928    1.8412   -0.9713 H   0  0  0  0  0
    4.8756    0.8255   -0.8487 H   0  0  0  0  0
    4.8154    0.8905    0.9140 H   0  0  0  0  0
    4.6003    3.3816    0.8216 H   0  0  0  0  0
    4.6456    3.3245   -0.9422 H   0  0  0  0  0
    6.9239    2.2942   -0.8570 H   0  0  0  0  0
    6.8814    2.3333    0.9070 H   0  0  0  0  0
    6.6795    4.8254    0.8547 H   0  0  0  0  0
    6.7028    4.7955   -0.9100 H   0  0  0  0  0
    8.9792    3.7543   -0.8673 H   0  0  0  0  0
    8.9586    3.7728    0.8977 H   0  0  0  0  0
    8.7568    6.2653    0.8765 H   0  0  0  0  0
    8.7572    6.2559   -0.8883 H   0  0  0  0  0
   11.0377    5.2202   -0.8862 H   0  0  0  0  0
   11.0394    5.2221    0.8792 H   0  0  0  0  0
   10.8173    7.7150    0.8813 H   0  0  0  0  0
   10.8029    7.7193   -0.8833 H   0  0  0  0  0
   13.0923    6.7069   -0.9097 H   0  0  0  0  0
   13.1082    6.6900    0.8556 H   0  0  0  0  0
   12.8556    9.1940    0.8754 H   0  0  0  0  0
   12.8390    9.2122   -0.8751 H   0  0  0  0  0
   15.1483    8.2495   -0.9263 H   0  0  0  0  0
   15.1659    8.2188    0.8550 H   0  0  0  0  0
   16.6976   10.8822   -2.1496 H   0  0  0  0  0
   16.9648   12.2246    0.9714 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 49  1  0  0  0
 19 50  1  0  0  0
M  END

>  <Chemical Name>
Tetradecyl dihydrogen phosphate

>  <PubChem CID>
82327

>  <Formula>
C14H31O4P

>  <Molecular Weight>
294.372000

>  <IUPAC Name>
tetradecyl dihydrogen phosphate

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCCCCCCCCCCOP(=O)(O)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCOP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)

>  <InChI Key>
KRIXEEBVZRZHOS-UHFFFAOYSA-N

