
 SCHEMBL20553507

 32 30  0  0  0  0  0  0  0  0999 V2000
    1.0631    1.5000   -3.4563 H   0  0  0  0  0
    1.0602   -0.2854    0.2068 C   0  0  0  0  0
    2.5803   -0.1940    0.1140 C   0  0  0  0  0
    3.0534    1.2638    0.1606 C   0  0  0  0  0
    4.5815    1.3445    0.0672 C   0  0  0  0  0
    5.0657    2.7989    0.1100 C   0  0  0  0  0
    6.5947    2.8658    0.0145 C   0  0  0  0  0
    7.0923    4.3155    0.0495 C   0  0  0  0  0
    8.6219    4.3693   -0.0502 C   0  0  0  0  0
    9.1279    5.8158   -0.0210 C   0  0  0  0  0
   10.6256    5.8634   -0.1160 C   0  0  0  0  0
   11.1948    5.4143   -1.0983 O   0  0  0  0  0
   11.3475    6.4123    0.8803 O   0  0  0  0  0
    0.7491   -1.3508    0.1702 H   0  0  0  0  0
    0.5883    0.2523   -0.6430 H   0  0  0  0  0
    0.7045    0.1563    1.1620 H   0  0  0  0  0
    2.9097   -0.6632   -0.8388 H   0  0  0  0  0
    3.0256   -0.7586    0.9621 H   0  0  0  0  0
    2.7183    1.7290    1.1139 H   0  0  0  0  0
    2.6029    1.8234   -0.6889 H   0  0  0  0  0
    4.9145    0.8763   -0.8855 H   0  0  0  0  0
    5.0301    0.7839    0.9171 H   0  0  0  0  0
    4.7354    3.2697    1.0623 H   0  0  0  0  0
    4.6191    3.3599   -0.7406 H   0  0  0  0  0
    6.9223    2.3905   -0.9366 H   0  0  0  0  0
    7.0396    2.3050    0.8661 H   0  0  0  0  0
    6.7680    4.7936    1.0003 H   0  0  0  0  0
    6.6489    4.8765   -0.8028 H   0  0  0  0  0
    8.9422    3.8862   -1.0000 H   0  0  0  0  0
    9.0656    3.8098    0.8032 H   0  0  0  0  0
    8.8058    6.2984    0.9276 H   0  0  0  0  0
    8.6961    6.3856   -0.8721 H   0  0  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
M  CHG  2   1   1  13  -1
M  END

>  <Chemical Name>
SCHEMBL20553507

>  <PubChem CID>
135373094

>  <Formula>
C10H20O2

>  <Molecular Weight>
172.268000

>  <IUPAC Name>
decanoate;hydron

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
[H+].CCCCCCCCCC(=O)[O-]

>  <Isomeric SMILES>
[H+].CCCCCCCCCC(=O)[O-]

>  <InChI Std. ID>
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

>  <InChI Key>
GHVNFZFCNZKVNT-UHFFFAOYSA-N

