9835868
  -OEChem-05302104282D

 56 55  0     0  0  0  0  0  0999 V2000
    6.0010   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8733   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2719    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4492    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0507    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5832    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1847   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7394    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1379    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3153    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7033    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9303    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0833    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 21  1  0  0  0  0
  2 56  1  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
  3 51  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 12  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 15  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 18  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  2  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9835868

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
252

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACADhgAYCAALAAgCIACFSEAAAAAAgAAAICIEIAAgCEBIAgQAEAAAAlgCYAAMYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-N-(2-hydroxyethyl)hexadec-9-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-N-(2-hydroxyethyl)-9-hexadecenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-<I>N</I>-(2-hydroxyethyl)hexadec-9-enamide

> <PUBCHEM_IUPAC_NAME>
(Z)-N-(2-hydroxyethyl)hexadec-9-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-N-(2-hydroxyethyl)hexadec-9-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-N-(2-hydroxyethyl)hexadec-9-enamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-

> <PUBCHEM_IUPAC_INCHIKEY>
WFRLANWAASSSFV-FPLPWBNLSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
297.266779359

> <PUBCHEM_MOLECULAR_FORMULA>
C18H35NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
297.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCC=CCCCCCCCC(=O)NCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC/C=C\CCCCCCCC(=O)NCCO

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.266779359

> <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>
1

> <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

$$$$
