6440935
  -OEChem-04292400362D

 43 42  0     0  0  0  0  0  0999 V2000
    9.4651    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.2500    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
   12.0632    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2392    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6832    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4432    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6440935

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
322

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADQDBgAQCAALAAACIACFSEACAAAAgAAAICIAIAEgIAAAAAQAEAAAAlgCIgYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E,6Z,8E,10E)-N-isobutyldodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>,6<I>Z</I>,8<I>E</I>,10<I>E</I>)-<I>N</I>-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_NAME>
(2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E,6Z,8E,10E)-N-isobutyldodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+

> <PUBCHEM_IUPAC_INCHIKEY>
SBXYHCVXUCYYJT-UEOYEZOQSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
247.193614421

> <PUBCHEM_MOLECULAR_FORMULA>
C16H25NO

> <PUBCHEM_MOLECULAR_WEIGHT>
247.38

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=CC=CC=CCCC=CC(=O)NCC(C)C

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

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.193614421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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

$$$$
