12406
  DSViewer          3D                             0

 77 76  0  0  0  0  0  0  0  0999 V2000
   12.3924   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  1
   13.6618    0.4398    0.0001 C   0  0  0  0  0  0  0  0  0  2
   11.1229    0.4399    0.0001 C   0  0  0  0  0  0  0  0  0  3
   14.9313   -0.4497   -0.0000 C   0  0  0  0  0  0  0  0  0  4
    9.8534   -0.4497    0.0001 C   0  0  0  0  0  0  0  0  0  5
   16.1997    0.4405    0.0001 C   0  0  0  0  0  0  0  0  0  6
    8.5850    0.4406    0.0002 C   0  0  0  0  0  0  0  0  0  7
   17.4687   -0.4481   -0.0001 C   0  0  0  0  0  0  0  0  0  8
    7.3160   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  9
   18.7346    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0 10
    6.0501    0.4434    0.0001 C   0  0  0  0  0  0  0  0  0 11
   20.0030   -0.4432   -0.0001 C   0  0  0  0  0  0  0  0  0 12
    4.7817   -0.4432   -0.0000 C   0  0  0  0  0  0  0  0  0 13
   21.2650    0.4504   -0.0000 C   0  0  0  0  0  0  0  0  0 14
    3.5197    0.4505    0.0000 C   0  0  0  0  0  0  0  0  0 15
   22.5327   -0.4332   -0.0002 C   0  0  0  0  0  0  0  0  0 16
    2.2520   -0.4332   -0.0001 C   0  0  0  0  0  0  0  0  0 17
   23.7898    0.4632   -0.0001 C   0  0  0  0  0  0  0  0  0 18
    0.9949    0.4631   -0.0001 C   0  0  0  0  0  0  0  0  0 19
   25.0566   -0.4174   -0.0003 C   0  0  0  0  0  0  0  0  0 20
   -0.2719   -0.4175   -0.0003 C   0  0  0  0  0  0  0  0  0 21
   26.3096    0.4814   -0.0002 C   0  0  0  0  0  0  0  0  0 22
   -1.5249    0.4812   -0.0003 C   0  0  0  0  0  0  0  0  0 23
   27.5757   -0.3968   -0.0004 C   0  0  0  0  0  0  0  0  0 24
   -2.7910   -0.3971   -0.0005 C   0  0  0  0  0  0  0  0  0 25
   12.3923   -1.0790   -0.8902 H   0  0  0  0  0  0  0  0  0 26
   12.3924   -1.0792    0.8901 H   0  0  0  0  0  0  0  0  0 27
   11.1230    1.0688    0.8904 H   0  0  0  0  0  0  0  0  0 28
   11.1230    1.0691   -0.8899 H   0  0  0  0  0  0  0  0  0 29
   13.6618    1.0690   -0.8899 H   0  0  0  0  0  0  0  0  0 30
   13.6618    1.0688    0.8903 H   0  0  0  0  0  0  0  0  0 31
   14.9315   -1.0789    0.8900 H   0  0  0  0  0  0  0  0  0 32
   14.9315   -1.0787   -0.8903 H   0  0  0  0  0  0  0  0  0 33
    9.8532   -1.0787   -0.8902 H   0  0  0  0  0  0  0  0  0 34
    9.8532   -1.0789    0.8901 H   0  0  0  0  0  0  0  0  0 35
    8.5854    1.0696    0.8904 H   0  0  0  0  0  0  0  0  0 36
    8.5854    1.0698   -0.8899 H   0  0  0  0  0  0  0  0  0 37
   16.1993    1.0698   -0.8900 H   0  0  0  0  0  0  0  0  0 38
   16.1994    1.0695    0.8903 H   0  0  0  0  0  0  0  0  0 39
   17.4695   -1.0773    0.8900 H   0  0  0  0  0  0  0  0  0 40
   17.4695   -1.0770   -0.8903 H   0  0  0  0  0  0  0  0  0 41
    7.3152   -1.0770   -0.8902 H   0  0  0  0  0  0  0  0  0 42
    7.3152   -1.0772    0.8901 H   0  0  0  0  0  0  0  0  0 43
    6.0511    1.0724    0.8903 H   0  0  0  0  0  0  0  0  0 44
    6.0512    1.0726   -0.8900 H   0  0  0  0  0  0  0  0  0 45
   18.7335    1.0726   -0.8900 H   0  0  0  0  0  0  0  0  0 46
   18.7336    1.0723    0.8903 H   0  0  0  0  0  0  0  0  0 47
    4.7798   -1.0722   -0.8902 H   0  0  0  0  0  0  0  0  0 48
    4.7798   -1.0723    0.8901 H   0  0  0  0  0  0  0  0  0 49
   20.0050   -1.0725    0.8899 H   0  0  0  0  0  0  0  0  0 50
   20.0049   -1.0722   -0.8904 H   0  0  0  0  0  0  0  0  0 51
   21.2627    1.0797   -0.8900 H   0  0  0  0  0  0  0  0  0 52
   21.2627    1.0794    0.8902 H   0  0  0  0  0  0  0  0  0 53
    3.5219    1.0795    0.8902 H   0  0  0  0  0  0  0  0  0 54
    3.5220    1.0796   -0.8901 H   0  0  0  0  0  0  0  0  0 55
    2.2487   -1.0622   -0.8903 H   0  0  0  0  0  0  0  0  0 56
    2.2486   -1.0624    0.8899 H   0  0  0  0  0  0  0  0  0 57
   22.5361   -1.0624    0.8898 H   0  0  0  0  0  0  0  0  0 58
   22.5361   -1.0621   -0.8905 H   0  0  0  0  0  0  0  0  0 59
    0.9986    1.0921    0.8900 H   0  0  0  0  0  0  0  0  0 60
    0.9987    1.0923   -0.8902 H   0  0  0  0  0  0  0  0  0 61
   23.7860    1.0925   -0.8901 H   0  0  0  0  0  0  0  0  0 62
   23.7861    1.0921    0.8902 H   0  0  0  0  0  0  0  0  0 63
   25.0613   -1.0466    0.8897 H   0  0  0  0  0  0  0  0  0 64
   25.0612   -1.0463   -0.8906 H   0  0  0  0  0  0  0  0  0 65
   -0.2764   -1.0465   -0.8905 H   0  0  0  0  0  0  0  0  0 66
   -0.2765   -1.0466    0.8898 H   0  0  0  0  0  0  0  0  0 67
   -1.5200    1.1101    0.8899 H   0  0  0  0  0  0  0  0  0 68
   -1.5199    1.1103   -0.8904 H   0  0  0  0  0  0  0  0  0 69
   26.3046    1.1106   -0.8902 H   0  0  0  0  0  0  0  0  0 70
   26.3047    1.1103    0.8900 H   0  0  0  0  0  0  0  0  0 71
   28.4603    0.2400   -0.0004 H   0  0  0  0  0  0  0  0  0 72
   27.5819   -1.0261   -0.8904 H   0  0  0  0  0  0  0  0  0 73
   27.5820   -1.0265    0.8893 H   0  0  0  0  0  0  0  0  0 74
   -3.6756    0.2397   -0.0005 H   0  0  0  0  0  0  0  0  0 75
   -2.7972   -1.0267    0.8893 H   0  0  0  0  0  0  0  0  0 76
   -2.7971   -1.0265   -0.8904 H   0  0  0  0  0  0  0  0  0 77
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  5  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  6  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  7  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  8  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  9  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 11  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 12  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 13  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 14  1  0  0  0
 12 50  1  0  0  0
 12 51  1  0  0  0
 13 15  1  0  0  0
 13 48  1  0  0  0
 13 49  1  0  0  0
 14 16  1  0  0  0
 14 52  1  0  0  0
 14 53  1  0  0  0
 15 17  1  0  0  0
 15 54  1  0  0  0
 15 55  1  0  0  0
 16 18  1  0  0  0
 16 58  1  0  0  0
 16 59  1  0  0  0
 17 19  1  0  0  0
 17 56  1  0  0  0
 17 57  1  0  0  0
 18 20  1  0  0  0
 18 62  1  0  0  0
 18 63  1  0  0  0
 19 21  1  0  0  0
 19 60  1  0  0  0
 19 61  1  0  0  0
 20 22  1  0  0  0
 20 64  1  0  0  0
 20 65  1  0  0  0
 21 23  1  0  0  0
 21 66  1  0  0  0
 21 67  1  0  0  0
 22 24  1  0  0  0
 22 70  1  0  0  0
 22 71  1  0  0  0
 23 25  1  0  0  0
 23 68  1  0  0  0
 23 69  1  0  0  0
 24 72  1  0  0  0
 24 73  1  0  0  0
 24 74  1  0  0  0
 25 75  1  0  0  0
 25 76  1  0  0  0
 25 77  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
186

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
22

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pentacosane

> <PUBCHEM_IUPAC_CAS_NAME>
pentacosane

> <PUBCHEM_IUPAC_NAME>
pentacosane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pentacosane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pentacosane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
YKNWIILGEFFOPE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
13.1

> <PUBCHEM_EXACT_MASS>
352.407

> <PUBCHEM_MOLECULAR_FORMULA>
C25H52

> <PUBCHEM_MOLECULAR_WEIGHT>
352.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.407

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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

$$$$
