5281516
  DSViewer          3D                             0

 39 38  0  0  0  0  0  0  0  0999 V2000
    8.3371   -0.8099    0.0001 C   0  0  0  0  0  0  0  0  0  1
    9.5951    0.0818    0.0002 C   0  0  0  0  0  0  0  0  0  2
    7.0905    0.0401    0.0001 C   0  0  0  0  0  0  0  0  0  3
    5.8943   -0.5485   -0.0000 C   0  0  0  0  0  0  0  0  0  4
   10.8260   -0.7801    0.0002 C   0  0  0  0  0  0  0  0  0  5
    4.6388    0.2777   -0.0000 C   0  0  0  0  0  0  0  0  0  6
    7.1935    1.5464    0.0003 C   0  0  0  0  0  0  0  0  0  7
   12.0400   -0.2287    0.0004 C   0  0  0  0  0  0  0  0  0  8
    3.4386   -0.6260   -0.0001 C   0  0  0  0  0  0  0  0  0  9
   13.2569   -1.1070    0.0004 C   0  0  0  0  0  0  0  0  0 10
   12.1991    1.2684    0.0006 C   0  0  0  0  0  0  0  0  0 11
    2.2067   -0.1150   -0.0002 C   0  0  0  0  0  0  0  0  0 12
    2.0011    1.3777   -0.0003 C   0  0  0  0  0  0  0  0  0 13
    1.0499   -1.0133   -0.0003 C   0  0  0  0  0  0  0  0  0 14
   -0.1855   -0.5154   -0.0005 C   0  0  0  0  0  0  0  0  0 15
    8.3429   -1.4388   -0.8902 H   0  0  0  0  0  0  0  0  0 16
    8.3428   -1.4391    0.8901 H   0  0  0  0  0  0  0  0  0 17
    9.5933    0.7110   -0.8898 H   0  0  0  0  0  0  0  0  0 18
    9.5932    0.7108    0.8905 H   0  0  0  0  0  0  0  0  0 19
    5.8264   -1.6364   -0.0002 H   0  0  0  0  0  0  0  0  0 20
   10.7255   -1.8654    0.0000 H   0  0  0  0  0  0  0  0  0 21
    4.6189    0.9064    0.8902 H   0  0  0  0  0  0  0  0  0 22
    4.6189    0.9065   -0.8901 H   0  0  0  0  0  0  0  0  0 23
    6.1933    1.9795    0.0003 H   0  0  0  0  0  0  0  0  0 24
    7.7309    1.8744   -0.8895 H   0  0  0  0  0  0  0  0  0 25
    7.7308    1.8742    0.8902 H   0  0  0  0  0  0  0  0  0 26
    3.5757   -1.7073   -0.0000 H   0  0  0  0  0  0  0  0  0 27
   14.1532   -0.4869    0.0005 H   0  0  0  0  0  0  0  0  0 28
   13.2513   -1.7364   -0.8896 H   0  0  0  0  0  0  0  0  0 29
   13.2511   -1.7366    0.8901 H   0  0  0  0  0  0  0  0  0 30
   13.2592    1.5216    0.0008 H   0  0  0  0  0  0  0  0  0 31
   11.7267    1.6844    0.8906 H   0  0  0  0  0  0  0  0  0 32
   11.7268    1.6847   -0.8892 H   0  0  0  0  0  0  0  0  0 33
    0.9337    1.5980   -0.0005 H   0  0  0  0  0  0  0  0  0 34
    2.4605    1.8082   -0.8902 H   0  0  0  0  0  0  0  0  0 35
    2.4603    1.8083    0.8896 H   0  0  0  0  0  0  0  0  0 36
    1.2004   -2.0928   -0.0002 H   0  0  0  0  0  0  0  0  0 37
   -0.3381    0.5639   -0.0005 H   0  0  0  0  0  0  0  0  0 38
   -1.0439   -1.1872   -0.0005 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  5  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4 20  1  0  0  0
  5  8  2  0  0  0
  5 21  1  0  0  0
  6  9  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 10  1  0  0  0
  8 11  1  0  0  0
  9 12  2  0  0  0
  9 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281516

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
270

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAgAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

> <PUBCHEM_IUPAC_CAS_NAME>
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

> <PUBCHEM_IUPAC_NAME>
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+

> <PUBCHEM_IUPAC_INCHIKEY>
CXENHBSYCFFKJS-VDQVFBMKSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <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>
2

> <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

$$$$
