
 dodecyl-thiophosphate

 44 43  0  0  0  0  0  0  0  0999 V2000
    0.9341   -0.1319    0.0084 C   0  0  0  0  0
    2.4531   -0.0904    0.0515 C   0  0  0  0  0
    2.9769    1.3446    0.0023 C   0  0  0  0  0
    4.5060    1.3783    0.0340 C   0  0  0  0  0
    5.0343    2.8130   -0.0009 C   0  0  0  0  0
    6.5634    2.8433    0.0112 C   0  0  0  0  0
    7.0907    4.2791   -0.0118 C   0  0  0  0  0
    8.6199    4.3152   -0.0178 C   0  0  0  0  0
    9.1361    5.7544   -0.0255 C   0  0  0  0  0
   10.6653    5.8055   -0.0315 C   0  0  0  0  0
   11.1663    7.2480   -0.0070 C   0  0  0  0  0
   12.6873    7.3219    0.0188 C   0  0  0  0  0
   13.0641    8.6897    0.0924 O   0  0  0  0  0
   14.6225    9.0617   -0.0342 P   0  0  0  0  0
   15.8766    8.2187    1.1474 S   0  0  0  0  0
   14.8797    8.8689   -1.6033 O   0  0  0  0  0
   14.5607   10.6601    0.0492 O   0  0  0  0  0
    0.5819   -1.1676    0.0498 H   0  0  0  0  0
    0.5553    0.3187   -0.9147 H   0  0  0  0  0
    0.5021    0.4079    0.8572 H   0  0  0  0  0
    2.8522   -0.6624   -0.7944 H   0  0  0  0  0
    2.8001   -0.5819    0.9679 H   0  0  0  0  0
    2.5787    1.9105    0.8530 H   0  0  0  0  0
    2.6180    1.8363   -0.9097 H   0  0  0  0  0
    4.9029    0.8192   -0.8231 H   0  0  0  0  0
    4.8662    0.8768    0.9409 H   0  0  0  0  0
    4.6483    3.3667    0.8637 H   0  0  0  0  0
    4.6642    3.3193   -0.9005 H   0  0  0  0  0
    6.9485    2.2965   -0.8581 H   0  0  0  0  0
    6.9351    2.3304    0.9067 H   0  0  0  0  0
    6.7134    4.8209    0.8644 H   0  0  0  0  0
    6.7080    4.7965   -0.9004 H   0  0  0  0  0
    8.9974    3.7833   -0.8993 H   0  0  0  0  0
    9.0038    3.7914    0.8658 H   0  0  0  0  0
    8.7560    6.2835    0.8573 H   0  0  0  0  0
    8.7492    6.2799   -0.9075 H   0  0  0  0  0
   11.0482    5.2963   -0.9242 H   0  0  0  0  0
   11.0538    5.2661    0.8410 H   0  0  0  0  0
   10.7650    7.7723    0.8693 H   0  0  0  0  0
   10.7915    7.7950   -0.8809 H   0  0  0  0  0
   13.1096    6.8730   -0.8868 H   0  0  0  0  0
   13.0764    6.7920    0.8942 H   0  0  0  0  0
   14.2393    9.3140   -2.1810 H   0  0  0  0  0
   13.8170   11.0614   -0.4291 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 43  1  0  0  0
 17 44  1  0  0  0
M  END

>  <Chemical Name>
dodecyl-thiophosphate

>  <PubChem CID>
10468943

>  <Formula>
C12H27O3PS

>  <Molecular Weight>
282.379000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)

>  <InChI Key>
ISWBBUXCFWZBKC-UHFFFAOYSA-N

