1105
  -OEChem-04192414222D

 80 79  0     0  0  0  0  0  0999 V2000
   14.9904   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5297    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9248   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8530   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0656    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7190    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7444    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5044    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2085    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9685    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6086   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2286    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6726    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4326    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2460   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4 10  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 15  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 16  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  9  2  3  0  0  0
  7 19  1  0  0  0  0
  8 10  2  3  0  0  0
  8 20  1  0  0  0  0
  9 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  3  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  3  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 18  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 23  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 24  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 25  2  0  0  0  0
 23 67  1  0  0  0  0
 24 26  2  0  0  0  0
 24 68  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 29 75  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 30 78  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1105

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
578

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

> <PUBCHEM_IUPAC_CAS_NAME>
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

> <PUBCHEM_IUPAC_NAME>
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3

> <PUBCHEM_IUPAC_INCHIKEY>
YYGNTYWPHWGJRM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
11.6

> <PUBCHEM_EXACT_MASS>
410.391251595

> <PUBCHEM_MOLECULAR_FORMULA>
C30H50

> <PUBCHEM_MOLECULAR_WEIGHT>
410.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
410.391251595

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
4

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  1
12  16  1
7  9  1
8  10  1

$$$$