Molecule Editor

Molecule ID: FYI-1005122 Edit

Molecule Structure InChIKey: FFXYZCMDXPBYIG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)c1c(O)cc(CCCCCCCCC)oc1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005122
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  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  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005122-3D
FYIcenter.com

 68 68  0  0  0  0  0  0  0  0999 V2000
    5.1336    3.3707    5.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1770    2.2047    4.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4943    1.4413    4.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    0.2715    4.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8537   -0.4890    4.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8894   -1.6518    3.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2023   -2.4164    3.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2358   -3.5716    2.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5380   -4.3463    2.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716   -5.5403    1.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -5.5905    0.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3580   -6.7278    1.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9903   -7.8786    1.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0111   -8.0069    0.2852 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120   -9.1155    1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6222   -9.1153    2.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3715  -10.3362    2.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2731  -10.5176    4.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0554  -11.7394    4.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9386  -11.8776    6.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7064  -13.0919    6.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5725  -13.2139    8.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3367  -14.4310    8.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2119  -14.5678   10.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9771  -15.7833   10.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0709   -7.9146    3.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -6.7164    2.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8427   -5.6918    3.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1856    3.9071    5.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9468    4.0756    5.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287    3.0220    6.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516    2.5781    3.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369    1.5295    5.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6173    1.0686    6.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3328    2.1192    4.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160    0.6426    2.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6998   -0.4084    4.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -0.8667    5.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6934    0.1887    3.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7657   -1.2740    2.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508   -2.3301    3.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3223   -2.8012    4.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447   -1.7405    3.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1251   -3.1896    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3866   -4.2435    2.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6128   -4.6991    3.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3961   -3.7063    2.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7273   -7.1186   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2390  -10.0212    1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4216  -10.2273    2.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9871  -11.2304    2.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2212  -10.6170    4.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6641   -9.6279    4.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1094  -11.6391    4.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6691  -12.6404    4.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8818  -11.9672    6.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3242  -10.9714    6.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7628  -13.0002    6.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3221  -13.9994    6.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5136  -13.2996    8.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9571  -12.3055    8.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3945  -14.3421    8.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9508  -15.3362    8.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1573  -14.6628   10.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6010  -13.6684   10.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5907  -16.7008   10.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8824  -15.8743   12.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0416  -15.7013   10.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  2  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$