
 Eicosatrienoic acid

 56 55  0  0  0  0  0  0  0  0999 V2000
   12.8687    4.1058    6.9465 C   0  0  0  0  0
   13.6418    2.9614    6.3107 C   0  0  0  0  0
   12.7421    2.0860    5.4877 C   0  0  0  0  0
   12.7116    2.1106    4.1458 C   0  0  0  0  0
   11.8141    1.2603    3.2954 C   0  0  0  0  0
   10.6878    2.0769    2.7335 C   0  0  0  0  0
   10.6666    2.5801    1.4881 C   0  0  0  0  0
    9.5619    3.4388    0.9455 C   0  0  0  0  0
    9.9430    4.8888    1.0063 C   0  0  0  0  0
   10.2504    5.6458   -0.0589 C   0  0  0  0  0
   10.6583    7.0881    0.0440 C   0  0  0  0  0
   12.1553    7.2517   -0.2238 C   0  0  0  0  0
   12.5947    8.7098   -0.0792 C   0  0  0  0  0
   14.1016    8.8543   -0.2976 C   0  0  0  0  0
   14.5549   10.3062   -0.1389 C   0  0  0  0  0
   16.0652   10.4379   -0.3425 C   0  0  0  0  0
   16.5272   11.8869   -0.1824 C   0  0  0  0  0
   18.0367   12.0124   -0.3890 C   0  0  0  0  0
   18.5022   13.4538   -0.2284 C   0  0  0  0  0
   19.9866   13.5503   -0.4292 C   0  0  0  0  0
   20.8412   13.4067    0.4271 O   0  0  0  0  0
   20.3255   13.7780   -1.7120 O   0  0  0  0  0
   13.5361    4.7175    7.5620 H   0  0  0  0  0
   12.0610    3.7351    7.5865 H   0  0  0  0  0
   12.4269    4.7547    6.1821 H   0  0  0  0  0
   14.1096    2.3518    7.0919 H   0  0  0  0  0
   14.4556    3.3692    5.6998 H   0  0  0  0  0
   12.0826    1.4135    6.0323 H   0  0  0  0  0
   13.3615    2.7983    3.6072 H   0  0  0  0  0
   11.3947    0.4265    3.8706 H   0  0  0  0  0
   12.4113    0.8099    2.4935 H   0  0  0  0  0
    9.8634    2.2853    3.4125 H   0  0  0  0  0
   11.5054    2.3987    0.8191 H   0  0  0  0  0
    8.6362    3.2935    1.5153 H   0  0  0  0  0
    9.3430    3.1268   -0.0825 H   0  0  0  0  0
    9.9822    5.3250    2.0031 H   0  0  0  0  0
   10.2284    5.2131   -1.0567 H   0  0  0  0  0
   10.4142    7.4870    1.0365 H   0  0  0  0  0
   10.0782    7.6711   -0.6809 H   0  0  0  0  0
   12.3944    6.8944   -1.2335 H   0  0  0  0  0
   12.7251    6.6295    0.4786 H   0  0  0  0  0
   12.3331    9.0755    0.9212 H   0  0  0  0  0
   12.0540    9.3310   -0.8033 H   0  0  0  0  0
   14.3637    8.4946   -1.3000 H   0  0  0  0  0
   14.6378    8.2235    0.4221 H   0  0  0  0  0
   14.2860   10.6687    0.8607 H   0  0  0  0  0
   14.0284   10.9375   -0.8649 H   0  0  0  0  0
   16.3336   10.0751   -1.3422 H   0  0  0  0  0
   16.5897    9.8038    0.3828 H   0  0  0  0  0
   16.2616   12.2492    0.8182 H   0  0  0  0  0
   16.0029   12.5222   -0.9066 H   0  0  0  0  0
   18.3057   11.6464   -1.3878 H   0  0  0  0  0
   18.5642   11.3727    0.3297 H   0  0  0  0  0
   18.2707   13.8359    0.7723 H   0  0  0  0  0
   17.9992   14.1175   -0.9411 H   0  0  0  0  0
   21.3055   13.7915   -1.6997 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 56  1  0  0  0
M  END

>  <Chemical Name>
Eicosatrienoic acid

>  <PubChem CID>
5312529

>  <Formula>
C20H34O2

>  <Molecular Weight>
306.490000

>  <IUPAC Name>
(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid

>  <XlogP>
6.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC=CCC=CCC=CCCCCCCCCCC(=O)O

>  <Isomeric SMILES>
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-

>  <InChI Key>
AHANXAKGNAKFSK-PDBXOOCHSA-N

