12407
  DSViewer          3D                             0

 80 79  0  0  0  0  0  0  0  0999 V2000
   12.1897   -0.4455   -0.0000 C   0  0  0  0  0  0  0  0  0  1
   13.4609    0.4457    0.0001 C   0  0  0  0  0  0  0  0  0  2
   10.9141    0.4390    0.0002 C   0  0  0  0  0  0  0  0  0  3
   14.7366   -0.4388   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    9.6430   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  5
   16.0077    0.4519    0.0001 C   0  0  0  0  0  0  0  0  0  6
    8.3692    0.4339    0.0002 C   0  0  0  0  0  0  0  0  0  7
   17.2815   -0.4337   -0.0001 C   0  0  0  0  0  0  0  0  0  8
    7.0985   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  9
   18.5521    0.4555    0.0001 C   0  0  0  0  0  0  0  0  0 10
    5.8282    0.4327    0.0001 C   0  0  0  0  0  0  0  0  0 11
   19.8224   -0.4324   -0.0002 C   0  0  0  0  0  0  0  0  0 12
    4.5582   -0.4539   -0.0000 C   0  0  0  0  0  0  0  0  0 13
   21.0924    0.4542    0.0000 C   0  0  0  0  0  0  0  0  0 14
    3.2930    0.4373    0.0000 C   0  0  0  0  0  0  0  0  0 15
   22.3576   -0.4370   -0.0002 C   0  0  0  0  0  0  0  0  0 16
    2.0239   -0.4459   -0.0002 C   0  0  0  0  0  0  0  0  0 17
   23.6267    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0 18
    0.7649    0.4490   -0.0001 C   0  0  0  0  0  0  0  0  0 19
   24.8858   -0.4487   -0.0002 C   0  0  0  0  0  0  0  0  0 20
   -0.5030   -0.4311   -0.0003 C   0  0  0  0  0  0  0  0  0 21
   26.1536    0.4314   -0.0000 C   0  0  0  0  0  0  0  0  0 22
   -1.7568    0.4672   -0.0003 C   0  0  0  0  0  0  0  0  0 23
   27.4075   -0.4669   -0.0003 C   0  0  0  0  0  0  0  0  0 24
   -3.0235   -0.4106   -0.0005 C   0  0  0  0  0  0  0  0  0 25
   28.6741    0.4110   -0.0000 C   0  0  0  0  0  0  0  0  0 26
   12.1913   -1.0744   -0.8903 H   0  0  0  0  0  0  0  0  0 27
   12.1913   -1.0747    0.8900 H   0  0  0  0  0  0  0  0  0 28
   13.4593    1.0750   -0.8899 H   0  0  0  0  0  0  0  0  0 29
   13.4593    1.0746    0.8904 H   0  0  0  0  0  0  0  0  0 30
   14.7382   -1.0680    0.8899 H   0  0  0  0  0  0  0  0  0 31
   14.7381   -1.0677   -0.8903 H   0  0  0  0  0  0  0  0  0 32
   10.9125    1.0679    0.8904 H   0  0  0  0  0  0  0  0  0 33
   10.9125    1.0682   -0.8899 H   0  0  0  0  0  0  0  0  0 34
    9.6442   -1.0806   -0.8902 H   0  0  0  0  0  0  0  0  0 35
    9.6442   -1.0809    0.8901 H   0  0  0  0  0  0  0  0  0 36
   16.0065    1.0812   -0.8899 H   0  0  0  0  0  0  0  0  0 37
   16.0065    1.0808    0.8904 H   0  0  0  0  0  0  0  0  0 38
   17.2825   -1.0630    0.8899 H   0  0  0  0  0  0  0  0  0 39
   17.2825   -1.0626   -0.8904 H   0  0  0  0  0  0  0  0  0 40
    8.3682    1.0629    0.8904 H   0  0  0  0  0  0  0  0  0 41
    8.3682    1.0632   -0.8899 H   0  0  0  0  0  0  0  0  0 42
    7.0987   -1.0842   -0.8902 H   0  0  0  0  0  0  0  0  0 43
    7.0987   -1.0844    0.8901 H   0  0  0  0  0  0  0  0  0 44
   18.5519    1.0848   -0.8899 H   0  0  0  0  0  0  0  0  0 45
   18.5520    1.0844    0.8903 H   0  0  0  0  0  0  0  0  0 46
   19.8222   -1.0617    0.8898 H   0  0  0  0  0  0  0  0  0 47
   19.8222   -1.0613   -0.8905 H   0  0  0  0  0  0  0  0  0 48
    5.8284    1.0616    0.8904 H   0  0  0  0  0  0  0  0  0 49
    5.8285    1.0619   -0.8899 H   0  0  0  0  0  0  0  0  0 50
   21.0937    1.0835   -0.8900 H   0  0  0  0  0  0  0  0  0 51
   21.0938    1.0830    0.8903 H   0  0  0  0  0  0  0  0  0 52
    4.5569   -1.0828   -0.8903 H   0  0  0  0  0  0  0  0  0 53
    4.5569   -1.0831    0.8900 H   0  0  0  0  0  0  0  0  0 54
    3.2948    1.0663    0.8903 H   0  0  0  0  0  0  0  0  0 55
    3.2949    1.0666   -0.8900 H   0  0  0  0  0  0  0  0  0 56
   22.3559   -1.0663    0.8898 H   0  0  0  0  0  0  0  0  0 57
   22.3558   -1.0659   -0.8905 H   0  0  0  0  0  0  0  0  0 58
   23.6298    1.0756   -0.8900 H   0  0  0  0  0  0  0  0  0 59
   23.6298    1.0751    0.8903 H   0  0  0  0  0  0  0  0  0 60
    2.0209   -1.0749   -0.8904 H   0  0  0  0  0  0  0  0  0 61
    2.0208   -1.0751    0.8899 H   0  0  0  0  0  0  0  0  0 62
    0.7683    1.0780    0.8901 H   0  0  0  0  0  0  0  0  0 63
    0.7684    1.0782   -0.8902 H   0  0  0  0  0  0  0  0  0 64
   24.8823   -1.0780    0.8897 H   0  0  0  0  0  0  0  0  0 65
   24.8823   -1.0776   -0.8905 H   0  0  0  0  0  0  0  0  0 66
   26.1583    1.0607   -0.8900 H   0  0  0  0  0  0  0  0  0 67
   26.1583    1.0603    0.8903 H   0  0  0  0  0  0  0  0  0 68
   -0.5076   -1.0601   -0.8905 H   0  0  0  0  0  0  0  0  0 69
   -0.5077   -1.0603    0.8897 H   0  0  0  0  0  0  0  0  0 70
   27.4025   -1.0962    0.8897 H   0  0  0  0  0  0  0  0  0 71
   27.4025   -1.0957   -0.8906 H   0  0  0  0  0  0  0  0  0 72
   -1.7519    1.0961    0.8899 H   0  0  0  0  0  0  0  0  0 73
   -1.7518    1.0964   -0.8904 H   0  0  0  0  0  0  0  0  0 74
   -3.9077    0.2266   -0.0005 H   0  0  0  0  0  0  0  0  0 75
   -3.0300   -1.0402    0.8893 H   0  0  0  0  0  0  0  0  0 76
   -3.0298   -1.0400   -0.8904 H   0  0  0  0  0  0  0  0  0 77
   29.5584   -0.2263   -0.0002 H   0  0  0  0  0  0  0  0  0 78
   28.6806    1.0402    0.8900 H   0  0  0  0  0  0  0  0  0 79
   28.6806    1.0407   -0.8897 H   0  0  0  0  0  0  0  0  0 80
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  5  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  6  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  7  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  8  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  9  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 11  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 12  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 13  1  0  0  0
 11 49  1  0  0  0
 11 50  1  0  0  0
 12 14  1  0  0  0
 12 47  1  0  0  0
 12 48  1  0  0  0
 13 15  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 14 16  1  0  0  0
 14 51  1  0  0  0
 14 52  1  0  0  0
 15 17  1  0  0  0
 15 55  1  0  0  0
 15 56  1  0  0  0
 16 18  1  0  0  0
 16 57  1  0  0  0
 16 58  1  0  0  0
 17 19  1  0  0  0
 17 61  1  0  0  0
 17 62  1  0  0  0
 18 20  1  0  0  0
 18 59  1  0  0  0
 18 60  1  0  0  0
 19 21  1  0  0  0
 19 63  1  0  0  0
 19 64  1  0  0  0
 20 22  1  0  0  0
 20 65  1  0  0  0
 20 66  1  0  0  0
 21 23  1  0  0  0
 21 69  1  0  0  0
 21 70  1  0  0  0
 22 24  1  0  0  0
 22 67  1  0  0  0
 22 68  1  0  0  0
 23 25  1  0  0  0
 23 73  1  0  0  0
 23 74  1  0  0  0
 24 26  1  0  0  0
 24 71  1  0  0  0
 24 72  1  0  0  0
 25 75  1  0  0  0
 25 76  1  0  0  0
 25 77  1  0  0  0
 26 78  1  0  0  0
 26 79  1  0  0  0
 26 80  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12407

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
196

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hexacosane

> <PUBCHEM_IUPAC_CAS_NAME>
hexacosane

> <PUBCHEM_IUPAC_NAME>
hexacosane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hexacosane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hexacosane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HMSWAIKSFDFLKN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
13.7

> <PUBCHEM_EXACT_MASS>
366.423

> <PUBCHEM_MOLECULAR_FORMULA>
C26H54

> <PUBCHEM_MOLECULAR_WEIGHT>
366.707

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.423

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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

$$$$
