Molecule Editor

Molecule ID: FYI-1016086 Edit

Molecule Structure InChIKey: JZSCLOZMBGODNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCCCCCCCCCCO)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016086
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   18.1865    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016086-3D
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
    3.2416    0.3127   -2.7152 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3242    0.0017   -2.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850   -1.2516   -2.3528 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1981   -2.3226   -3.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -3.1117   -2.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5427   -4.2368   -2.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820   -5.2580   -3.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184   -6.3695   -4.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6993   -7.3387   -4.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9636   -8.4522   -5.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520   -9.4207   -6.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2203  -10.5417   -6.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1966  -11.5169   -7.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802  -12.5466   -8.1956 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993    0.9759   -1.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3906    1.9373   -0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0772    2.8455    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4701    2.8011    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    1.8617   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983    0.9508   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6823   -1.4917   -1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9852   -2.9545   -3.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6068   -1.9142   -3.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774   -2.4370   -1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9086   -3.5292   -1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8818   -3.8093   -3.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8991   -4.7406   -2.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1359   -5.6864   -2.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1268   -4.7696   -4.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612   -5.9369   -4.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0817   -6.9030   -3.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3565   -7.7704   -4.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -6.7956   -5.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154   -8.0185   -6.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176   -8.9928   -4.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058   -9.8463   -5.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5949   -8.8788   -6.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5604  -10.1267   -7.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656  -11.0803   -6.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484  -11.9764   -6.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271  -11.0100   -8.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9214  -12.9889   -7.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3044    1.9709   -0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5247    3.5841    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0027    3.5077    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2676    1.8448   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0677    0.2455   -1.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  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 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END
$$$$