5365075
 OpenBabel05082101102D

 69 68  0  0  0  0  0  0  0  0999 V2000
    8.0622   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0685   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4670    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3798   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2024   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6010   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6444    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2458    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9123   -0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5138   -1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9345    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3330    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5104    3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1119    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8985    3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2785    4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  5  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  7  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  8  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  9  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 10  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 13  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 17  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 15  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 19  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 16  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 18  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 20  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 22  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 21  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 20  2  0  0  0  0
 19 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 23  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5365075

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
216

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-tricos-9-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-9-tricosene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-tricos-9-ene

>  <PUBCHEM_IUPAC_NAME>
(Z)-tricos-9-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-tricos-9-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-tricos-9-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-

>  <PUBCHEM_IUPAC_INCHIKEY>
IGOWHGRNPLFNDJ-ZPHPHTNESA-N

>  <PUBCHEM_XLOGP3_AA>
11.7

>  <PUBCHEM_EXACT_MASS>
322.359951

>  <PUBCHEM_MOLECULAR_FORMULA>
C23H46

>  <PUBCHEM_MOLECULAR_WEIGHT>
322.6

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC=CCCCCCCCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCC/C=C\CCCCCCCC

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.359951

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
23

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
