17900
  DSViewer          3D                             0

 45 45  0  0  0  0  0  0  0  0999 V2000
    2.3023   -3.6071   -0.1442 C   0  0  0  0  0  0  0  0  0  1
    0.9973   -4.2614    0.3566 C   0  0  0  0  0  0  0  0  0  2
    3.5154   -4.3791    0.4212 C   0  0  0  0  0  0  0  0  0  3
    2.3442   -2.1412    0.3285 C   0  0  0  0  0  0  0  0  0  4
    0.9397   -5.7282   -0.1183 C   0  0  0  0  0  0  0  0  0  5
    3.4580   -5.8467   -0.0549 C   0  0  0  0  0  0  0  0  0  6
    2.1514   -6.5011    0.4441 C   0  0  0  0  0  0  0  0  0  7
    3.6293   -1.4555   -0.1722 C   0  0  0  0  0  0  0  0  0  8
    3.6221    0.0097    0.2957 C   0  0  0  0  0  0  0  0  0  9
    4.8826    0.7323   -0.2096 C   0  0  0  0  0  0  0  0  0 10
    4.8304    2.1998    0.2512 C   0  0  0  0  0  0  0  0  0 11
    6.0694    2.9548   -0.2582 C   0  0  0  0  0  0  0  0  0 12
    5.9849    4.4227    0.1976 C   0  0  0  0  0  0  0  0  0 13
    7.2131    5.1955   -0.3134 C   0  0  0  0  0  0  0  0  0 14
    7.1174    6.6640    0.1401 C   0  0  0  0  0  0  0  0  0 15
    2.3278   -3.6377   -1.2425 H   0  0  0  0  0  0  0  0  0 16
    0.9711   -4.2315    1.4459 H   0  0  0  0  0  0  0  0  0 17
    0.1418   -3.7169   -0.0430 H   0  0  0  0  0  0  0  0  0 18
    4.4370   -3.9178    0.0664 H   0  0  0  0  0  0  0  0  0 19
    3.4895   -4.3492    1.5105 H   0  0  0  0  0  0  0  0  0 20
    1.4769   -1.6114   -0.0656 H   0  0  0  0  0  0  0  0  0 21
    2.3231   -2.1140    1.4179 H   0  0  0  0  0  0  0  0  0 22
    0.0183   -6.1890    0.2379 H   0  0  0  0  0  0  0  0  0 23
    0.9640   -5.7582   -1.2076 H   0  0  0  0  0  0  0  0  0 24
    3.4855   -5.8762   -1.1442 H   0  0  0  0  0  0  0  0  0 25
    4.3127   -6.3918    0.3455 H   0  0  0  0  0  0  0  0  0 26
    2.1251   -6.4743    1.5335 H   0  0  0  0  0  0  0  0  0 27
    2.1111   -7.5361    0.1045 H   0  0  0  0  0  0  0  0  0 28
    4.5007   -1.9666    0.2370 H   0  0  0  0  0  0  0  0  0 29
    3.6639   -1.4922   -1.2611 H   0  0  0  0  0  0  0  0  0 30
    2.7376    0.5097   -0.0989 H   0  0  0  0  0  0  0  0  0 31
    3.6017    0.0400    1.3851 H   0  0  0  0  0  0  0  0  0 32
    5.7702    0.2508    0.2008 H   0  0  0  0  0  0  0  0  0 33
    4.9168    0.6912   -1.2983 H   0  0  0  0  0  0  0  0  0 34
    3.9316    2.6712   -0.1464 H   0  0  0  0  0  0  0  0  0 35
    4.8084    2.2355    1.3404 H   0  0  0  0  0  0  0  0  0 36
    6.9700    2.4967    0.1507 H   0  0  0  0  0  0  0  0  0 37
    6.1014    2.9117   -1.3469 H   0  0  0  0  0  0  0  0  0 38
    5.0788    4.8754   -0.2051 H   0  0  0  0  0  0  0  0  0 39
    5.9588    4.4630    1.2865 H   0  0  0  0  0  0  0  0  0 40
    8.1197    4.7476    0.0934 H   0  0  0  0  0  0  0  0  0 41
    7.2428    5.1524   -1.4021 H   0  0  0  0  0  0  0  0  0 42
    7.9867    7.2136   -0.2208 H   0  0  0  0  0  0  0  0  0 43
    7.0872    6.7073    1.2288 H   0  0  0  0  0  0  0  0  0 44
    6.2106    7.1119   -0.2663 H   0  0  0  0  0  0  0  0  0 45
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 16  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  6  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  8  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  7  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17900

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
122

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nonylcyclohexane

> <PUBCHEM_IUPAC_CAS_NAME>
nonylcyclohexane

> <PUBCHEM_IUPAC_NAME>
nonylcyclohexane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nonylcyclohexane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nonylcyclohexane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
CLMFECCMAVQYQA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.8

> <PUBCHEM_EXACT_MASS>
210.235

> <PUBCHEM_MOLECULAR_FORMULA>
C15H30

> <PUBCHEM_MOLECULAR_WEIGHT>
210.399

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCC1CCCCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCC1CCCCC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.235

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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

$$$$