11006
  DSViewer          3D                             0

 50 49  0  0  0  0  0  0  0  0999 V2000
    7.8683   -0.4451    0.0004 C   0  0  0  0  0  0  0  0  0  1
    9.1225    0.4453   -0.0002 C   0  0  0  0  0  0  0  0  0  2
    6.6115    0.4418   -0.0002 C   0  0  0  0  0  0  0  0  0  3
   10.3793   -0.4416    0.0004 C   0  0  0  0  0  0  0  0  0  4
    5.3574   -0.4488    0.0004 C   0  0  0  0  0  0  0  0  0  5
   11.6334    0.4490   -0.0003 C   0  0  0  0  0  0  0  0  0  6
   12.8903   -0.4376    0.0004 C   0  0  0  0  0  0  0  0  0  7
    4.1005    0.4379   -0.0003 C   0  0  0  0  0  0  0  0  0  8
   14.1441    0.4534   -0.0003 C   0  0  0  0  0  0  0  0  0  9
    2.8467   -0.4531    0.0004 C   0  0  0  0  0  0  0  0  0 10
   15.4015   -0.4329    0.0003 C   0  0  0  0  0  0  0  0  0 11
    1.5893    0.4333   -0.0003 C   0  0  0  0  0  0  0  0  0 12
   16.6561    0.4583   -0.0004 C   0  0  0  0  0  0  0  0  0 13
    0.3347   -0.4579    0.0003 C   0  0  0  0  0  0  0  0  0 14
   -0.9240    0.4285   -0.0004 C   0  0  0  0  0  0  0  0  0 15
   17.9148   -0.4280    0.0003 C   0  0  0  0  0  0  0  0  0 16
    7.8692   -1.0749   -0.8892 H   0  0  0  0  0  0  0  0  0 17
    7.8692   -1.0735    0.8911 H   0  0  0  0  0  0  0  0  0 18
    9.1216    1.0737   -0.8908 H   0  0  0  0  0  0  0  0  0 19
    9.1216    1.0750    0.8894 H   0  0  0  0  0  0  0  0  0 20
    6.6106    1.0716    0.8894 H   0  0  0  0  0  0  0  0  0 21
    6.6106    1.0702   -0.8908 H   0  0  0  0  0  0  0  0  0 22
   10.3802   -1.0700    0.8910 H   0  0  0  0  0  0  0  0  0 23
   10.3802   -1.0714   -0.8892 H   0  0  0  0  0  0  0  0  0 24
   11.6323    1.0774   -0.8909 H   0  0  0  0  0  0  0  0  0 25
   11.6324    1.0787    0.8894 H   0  0  0  0  0  0  0  0  0 26
    5.3584   -1.0785   -0.8892 H   0  0  0  0  0  0  0  0  0 27
    5.3584   -1.0772    0.8910 H   0  0  0  0  0  0  0  0  0 28
   12.8914   -1.0660    0.8910 H   0  0  0  0  0  0  0  0  0 29
   12.8914   -1.0674   -0.8893 H   0  0  0  0  0  0  0  0  0 30
    4.0994    1.0676    0.8894 H   0  0  0  0  0  0  0  0  0 31
    4.0994    1.0663   -0.8909 H   0  0  0  0  0  0  0  0  0 32
   14.1429    1.0818   -0.8909 H   0  0  0  0  0  0  0  0  0 33
   14.1429    1.0831    0.8894 H   0  0  0  0  0  0  0  0  0 34
    2.8479   -1.0829   -0.8893 H   0  0  0  0  0  0  0  0  0 35
    2.8478   -1.0815    0.8910 H   0  0  0  0  0  0  0  0  0 36
    1.5882    1.0630    0.8893 H   0  0  0  0  0  0  0  0  0 37
    1.5882    1.0617   -0.8909 H   0  0  0  0  0  0  0  0  0 38
   15.4027   -1.0614    0.8909 H   0  0  0  0  0  0  0  0  0 39
   15.4026   -1.0627   -0.8893 H   0  0  0  0  0  0  0  0  0 40
    0.3359   -1.0877   -0.8894 H   0  0  0  0  0  0  0  0  0 41
    0.3359   -1.0863    0.8909 H   0  0  0  0  0  0  0  0  0 42
   16.6548    1.0867   -0.8910 H   0  0  0  0  0  0  0  0  0 43
   16.6549    1.0880    0.8893 H   0  0  0  0  0  0  0  0  0 44
   -1.8130   -0.2021    0.0001 H   0  0  0  0  0  0  0  0  0 45
   -0.9256    1.0573   -0.8908 H   0  0  0  0  0  0  0  0  0 46
   -0.9257    1.0587    0.8890 H   0  0  0  0  0  0  0  0  0 47
   18.8038    0.2025   -0.0002 H   0  0  0  0  0  0  0  0  0 48
   17.9165   -1.0582   -0.8892 H   0  0  0  0  0  0  0  0  0 49
   17.9165   -1.0569    0.8906 H   0  0  0  0  0  0  0  0  0 50
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  5  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  6  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  8  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  9  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 11  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 13  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 14  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 16  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 48  1  0  0  0
 16 49  1  0  0  0
 16 50  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11006

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
92.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hexadecane

> <PUBCHEM_IUPAC_CAS_NAME>
hexadecane

> <PUBCHEM_IUPAC_NAME>
hexadecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hexadecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hexadecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DCAYPVUWAIABOU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
8.3

> <PUBCHEM_EXACT_MASS>
226.266

> <PUBCHEM_MOLECULAR_FORMULA>
C16H34

> <PUBCHEM_MOLECULAR_WEIGHT>
226.441

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
226.266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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

$$$$
