
 Thiophosphoric acid decyl ester

 38 37  0  0  0  0  0  0  0  0999 V2000
    0.9047   -0.0273   -0.0446 C   0  0  0  0  0
    2.4245   -0.0050   -0.0042 C   0  0  0  0  0
    2.9641    1.4245   -0.0413 C   0  0  0  0  0
    4.4937    1.4445   -0.0120 C   0  0  0  0  0
    5.0299    2.8768   -0.0359 C   0  0  0  0  0
    6.5592    2.9034   -0.0214 C   0  0  0  0  0
    7.0851    4.3394   -0.0287 C   0  0  0  0  0
    8.6144    4.3791   -0.0161 C   0  0  0  0  0
    9.1273    5.8182    0.0078 C   0  0  0  0  0
   10.6481    5.8786    0.0485 C   0  0  0  0  0
   11.0373    7.2439    0.1196 O   0  0  0  0  0
   12.6009    7.6004   -0.0002 P   0  0  0  0  0
   13.8407    6.7472    1.1906 S   0  0  0  0  0
   12.8635    7.4013   -1.5672 O   0  0  0  0  0
   12.5534    9.1996    0.0804 O   0  0  0  0  0
    0.5399   -1.0588   -0.0129 H   0  0  0  0  0
    0.5298    0.4376   -0.9620 H   0  0  0  0  0
    0.4813    0.5091    0.8107 H   0  0  0  0  0
    2.8152   -0.5732   -0.8562 H   0  0  0  0  0
    2.7676   -0.5086    0.9069 H   0  0  0  0  0
    2.5726    1.9869    0.8152 H   0  0  0  0  0
    2.6083    1.9283   -0.9482 H   0  0  0  0  0
    4.8848    0.8906   -0.8740 H   0  0  0  0  0
    4.8512    0.9336    0.8904 H   0  0  0  0  0
    4.6445    3.4258    0.8322 H   0  0  0  0  0
    4.6627    3.3915   -0.9322 H   0  0  0  0  0
    6.9451    2.3652   -0.8954 H   0  0  0  0  0
    6.9280    2.3814    0.8696 H   0  0  0  0  0
    6.6982    4.8746    0.8476 H   0  0  0  0  0
    6.7127    4.8638   -0.9172 H   0  0  0  0  0
    9.0045    3.8629   -0.9017 H   0  0  0  0  0
    8.9886    3.8411    0.8634 H   0  0  0  0  0
    8.7213    6.3488    0.8781 H   0  0  0  0  0
    8.7658    6.3645   -0.8718 H   0  0  0  0  0
   11.0756    5.4221   -0.8508 H   0  0  0  0  0
   11.0243    5.3498    0.9303 H   0  0  0  0  0
   12.2299    7.8515   -2.1493 H   0  0  0  0  0
   11.8164    9.6074   -0.4027 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 12 15  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
M  END

>  <Chemical Name>
Thiophosphoric acid decyl ester

>  <PubChem CID>
11242245

>  <Formula>
C10H23O3PS

>  <Molecular Weight>
254.325000

>  <IUPAC Name>
decoxy-dihydroxy-sulfanylidene-$l^{5}-phosphane

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCCCCCCOP(=S)(O)O

>  <Isomeric SMILES>
CCCCCCCCCCOP(=S)(O)O

>  <InChI Std. ID>
InChI=1S/C10H23O3PS/c1-2-3-4-5-6-7-8-9-10-13-14(11,12)15/h2-10H2,1H3,(H2,11,12,15)

>  <InChI Key>
ISIPUCJUDOMIDU-UHFFFAOYSA-N

