5367530
  DSViewer          3D                             0

 33 32  0  0  0  0  0  0  0  0999 V2000
   -1.0110    0.1727   -0.0002 O   0  0  0  0  0  0  0  0  0  1
    9.9028   -0.4639    0.0001 C   0  0  0  0  0  0  0  0  0  2
    8.6793    0.4676    0.0003 C   0  0  0  0  0  0  0  0  0  3
   11.1846    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  4
    7.3873   -0.3679    0.0003 C   0  0  0  0  0  0  0  0  0  5
   12.4169   -0.5334   -0.0002 C   0  0  0  0  0  0  0  0  0  6
    6.1779    0.5827    0.0005 C   0  0  0  0  0  0  0  0  0  7
   13.6959    0.3239   -0.0003 C   0  0  0  0  0  0  0  0  0  8
    4.9052   -0.2104    0.0004 C   0  0  0  0  0  0  0  0  0  9
    3.7356    0.4255    0.0004 C   0  0  0  0  0  0  0  0  0 10
    2.4863   -0.3314    0.0003 C   0  0  0  0  0  0  0  0  0 11
    1.3229    0.3163    0.0001 C   0  0  0  0  0  0  0  0  0 12
    0.0675   -0.4321   -0.0000 C   0  0  0  0  0  0  0  0  0 13
    9.8827   -1.0928    0.8902 H   0  0  0  0  0  0  0  0  0 14
    9.8825   -1.0926   -0.8901 H   0  0  0  0  0  0  0  0  0 15
    8.7035    1.0961    0.8906 H   0  0  0  0  0  0  0  0  0 16
    8.7033    1.0964   -0.8897 H   0  0  0  0  0  0  0  0  0 17
   11.2020    1.0167   -0.8900 H   0  0  0  0  0  0  0  0  0 18
   11.2022    1.0165    0.8903 H   0  0  0  0  0  0  0  0  0 19
    7.3583   -0.9962   -0.8899 H   0  0  0  0  0  0  0  0  0 20
    7.3584   -0.9964    0.8904 H   0  0  0  0  0  0  0  0  0 21
   12.4008   -1.1624    0.8899 H   0  0  0  0  0  0  0  0  0 22
   12.4006   -1.1622   -0.8904 H   0  0  0  0  0  0  0  0  0 23
    6.2121    1.2107    0.8908 H   0  0  0  0  0  0  0  0  0 24
    6.2121    1.2110   -0.8895 H   0  0  0  0  0  0  0  0  0 25
   14.5702   -0.3269   -0.0005 H   0  0  0  0  0  0  0  0  0 26
   13.7122    0.9531    0.8897 H   0  0  0  0  0  0  0  0  0 27
   13.7119    0.9533   -0.8901 H   0  0  0  0  0  0  0  0  0 28
    4.9375   -1.2999    0.0004 H   0  0  0  0  0  0  0  0  0 29
    3.7101    1.5152    0.0004 H   0  0  0  0  0  0  0  0  0 30
    2.5063   -1.4213    0.0003 H   0  0  0  0  0  0  0  0  0 31
    1.3068    1.4062    0.0000 H   0  0  0  0  0  0  0  0  0 32
    0.0819   -1.5220    0.0001 H   0  0  0  0  0  0  0  0  0 33
  1 13  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  5  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  7  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  8  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5367530

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
157

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAACIAChSgAAAAAAgAAAICAAAAEgIAAIAAQAAAAAAgAAIgYMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E,4E)-dodeca-2,4-dienal

> <PUBCHEM_IUPAC_CAS_NAME>
(2E,4E)-dodeca-2,4-dienal

> <PUBCHEM_IUPAC_NAME>
(2E,4E)-dodeca-2,4-dienal

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E,4E)-dodeca-2,4-dienal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E,4E)-dodeca-2,4-dienal

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+

> <PUBCHEM_IUPAC_INCHIKEY>
QKTZBZWNADPFOL-BNFZFUHLSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
180.151

> <PUBCHEM_MOLECULAR_FORMULA>
C12H20O

> <PUBCHEM_MOLECULAR_WEIGHT>
180.287

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCC=CC=CC=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCC/C=C/C=C/C=O

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
180.151

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
