12401
  DSViewer          3D                             0

 59 58  0  0  0  0  0  0  0  0999 V2000
    9.7943   -0.4364    0.0001 C   0  0  0  0  0  0  0  0  0  1
   11.0510    0.4511    0.0001 C   0  0  0  0  0  0  0  0  0  2
    8.5377    0.4511    0.0001 C   0  0  0  0  0  0  0  0  0  3
   12.3053   -0.4396    0.0000 C   0  0  0  0  0  0  0  0  0  4
    7.2833   -0.4396    0.0001 C   0  0  0  0  0  0  0  0  0  5
   13.5641    0.4447    0.0001 C   0  0  0  0  0  0  0  0  0  6
    6.0246    0.4448    0.0002 C   0  0  0  0  0  0  0  0  0  7
   14.8164   -0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  8
    4.7723   -0.4488    0.0001 C   0  0  0  0  0  0  0  0  0  9
   16.0767    0.4330    0.0001 C   0  0  0  0  0  0  0  0  0 10
    3.5119    0.4331    0.0001 C   0  0  0  0  0  0  0  0  0 11
   17.3274   -0.4628    0.0001 C   0  0  0  0  0  0  0  0  0 12
    2.2613   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0 13
   18.5889    0.4178    0.0002 C   0  0  0  0  0  0  0  0  0 14
    0.9998    0.4179   -0.0000 C   0  0  0  0  0  0  0  0  0 15
   19.8396   -0.4791    0.0001 C   0  0  0  0  0  0  0  0  0 16
   -0.2509   -0.4791   -0.0001 C   0  0  0  0  0  0  0  0  0 17
   21.1025    0.4011    0.0003 C   0  0  0  0  0  0  0  0  0 18
   -1.5138    0.4012   -0.0002 C   0  0  0  0  0  0  0  0  0 19
    9.7943   -1.0654   -0.8901 H   0  0  0  0  0  0  0  0  0 20
    9.7943   -1.0655    0.8902 H   0  0  0  0  0  0  0  0  0 21
   11.0518    1.0802   -0.8900 H   0  0  0  0  0  0  0  0  0 22
   11.0518    1.0801    0.8903 H   0  0  0  0  0  0  0  0  0 23
    8.5369    1.0801    0.8903 H   0  0  0  0  0  0  0  0  0 24
    8.5369    1.0802   -0.8900 H   0  0  0  0  0  0  0  0  0 25
   12.3038   -1.0688    0.8901 H   0  0  0  0  0  0  0  0  0 26
   12.3038   -1.0687   -0.8901 H   0  0  0  0  0  0  0  0  0 27
    7.2849   -1.0687   -0.8900 H   0  0  0  0  0  0  0  0  0 28
    7.2849   -1.0687    0.8903 H   0  0  0  0  0  0  0  0  0 29
    6.0223    1.0738    0.8903 H   0  0  0  0  0  0  0  0  0 30
    6.0223    1.0739   -0.8900 H   0  0  0  0  0  0  0  0  0 31
   13.5664    1.0739   -0.8900 H   0  0  0  0  0  0  0  0  0 32
   13.5664    1.0738    0.8902 H   0  0  0  0  0  0  0  0  0 33
   14.8134   -1.0780    0.8901 H   0  0  0  0  0  0  0  0  0 34
   14.8135   -1.0779   -0.8902 H   0  0  0  0  0  0  0  0  0 35
    4.7752   -1.0779   -0.8900 H   0  0  0  0  0  0  0  0  0 36
    4.7752   -1.0779    0.8903 H   0  0  0  0  0  0  0  0  0 37
   16.0802    1.0621   -0.8900 H   0  0  0  0  0  0  0  0  0 38
   16.0802    1.0621    0.8903 H   0  0  0  0  0  0  0  0  0 39
    3.5084    1.0621    0.8903 H   0  0  0  0  0  0  0  0  0 40
    3.5085    1.0622   -0.8900 H   0  0  0  0  0  0  0  0  0 41
   17.3235   -1.0919    0.8902 H   0  0  0  0  0  0  0  0  0 42
   17.3236   -1.0918   -0.8901 H   0  0  0  0  0  0  0  0  0 43
    2.2652   -1.0918   -0.8901 H   0  0  0  0  0  0  0  0  0 44
    2.2651   -1.0918    0.8902 H   0  0  0  0  0  0  0  0  0 45
    0.9957    1.0469    0.8901 H   0  0  0  0  0  0  0  0  0 46
    0.9959    1.0469   -0.8902 H   0  0  0  0  0  0  0  0  0 47
   18.5929    1.0469   -0.8899 H   0  0  0  0  0  0  0  0  0 48
   18.5928    1.0468    0.8903 H   0  0  0  0  0  0  0  0  0 49
   -0.2466   -1.1082   -0.8903 H   0  0  0  0  0  0  0  0  0 50
   -0.2468   -1.1082    0.8900 H   0  0  0  0  0  0  0  0  0 51
   19.8353   -1.1083    0.8902 H   0  0  0  0  0  0  0  0  0 52
   19.8354   -1.1082   -0.8900 H   0  0  0  0  0  0  0  0  0 53
   21.9885   -0.2337    0.0002 H   0  0  0  0  0  0  0  0  0 54
   21.1072    1.0306    0.8902 H   0  0  0  0  0  0  0  0  0 55
   21.1073    1.0307   -0.8896 H   0  0  0  0  0  0  0  0  0 56
   -2.3998   -0.2336   -0.0003 H   0  0  0  0  0  0  0  0  0 57
   -1.5185    1.0307   -0.8901 H   0  0  0  0  0  0  0  0  0 58
   -1.5186    1.0307    0.8897 H   0  0  0  0  0  0  0  0  0 59
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  5  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  6  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  7  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  8  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  9  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 11  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 12  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 13  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 14  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 15  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 16  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 15 17  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 18  1  0  0  0
 16 52  1  0  0  0
 16 53  1  0  0  0
 17 19  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 54  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 57  1  0  0  0
 19 58  1  0  0  0
 19 59  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12401

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
123

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nonadecane

> <PUBCHEM_IUPAC_CAS_NAME>
nonadecane

> <PUBCHEM_IUPAC_NAME>
nonadecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nonadecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nonadecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LQERIDTXQFOHKA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
9.9

> <PUBCHEM_EXACT_MASS>
268.313

> <PUBCHEM_MOLECULAR_FORMULA>
C19H40

> <PUBCHEM_MOLECULAR_WEIGHT>
268.521

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.313

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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

$$$$
