23724709
  -OEChem-04252402262D

 49 48  0     0  0  0  0  0  0999 V2000
    2.5369   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3187    3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7172    2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5492    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3092    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 38  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  2  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  2  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23724709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
352

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICCAAABgCIACDSCAAACAAgIAAICAEAAAgIABIAAQAAQAAEgAAIgAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(9<I>Z</I>,11<I>E</I>)-12-[(1<I>E</I>,3<I>Z</I>)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid

> <PUBCHEM_IUPAC_NAME>
(9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(9Z,11E)-12-[(1E,3Z)-hexa-1,3-dienoxy]dodeca-9,11-dienoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H28O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h3-4,9,11,13-14,16-17H,2,5-8,10,12,15H2,1H3,(H,19,20)/b4-3-,11-9-,16-13+,17-14+

> <PUBCHEM_IUPAC_INCHIKEY>
QWRJRLCIDLDGLM-GTTHPXIQSA-N

> <PUBCHEM_XLOGP3>
5.4

> <PUBCHEM_EXACT_MASS>
292.20384475

> <PUBCHEM_MOLECULAR_FORMULA>
C18H28O3

> <PUBCHEM_MOLECULAR_WEIGHT>
292.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC=CC=COC=CC=CCCCCCCCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC/C=C\C=C\O/C=C/C=C\CCCCCCCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.20384475

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <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

$$$$