Molecule FYI-1003888

Home > Molecule

A

Molecule Summary:

ID: FYI-1003888
Names:
InChIKey: OUQGOXCIUOCDNN-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1CO1

Received at FYIcenter.com on: 2023-08-04

Molecule ID: FYI-1003888 Edit

Molecule Structure InChIKey: OUQGOXCIUOCDNN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)OCC1CO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003888
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4077    1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5575    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  2  0  0  0  0
  6  4  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  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
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003888-3D
FYIcenter.com

 64 64  0  0  1  0  0  0  0  0999 V2000
    1.0228   -0.0504   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401   -0.0569   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0699   -1.4095   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5910   -1.4203   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1063   -2.7757   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6253   -2.7892   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1368   -4.1433   -1.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553   -4.1473   -1.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1698   -5.4987   -1.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -5.5033   -1.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2027   -6.8550   -2.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7225   -6.8646   -2.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2344   -8.2194   -2.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559   -8.2412   -2.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2695   -9.6006   -3.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7922   -9.6198   -3.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3488  -10.9701   -3.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8512  -10.9561   -3.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5365   -9.9744   -3.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3553  -12.1211   -4.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6422  -11.9499   -4.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5229  -11.4789   -6.2498 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.8429  -12.1674   -7.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2400  -12.3229   -7.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    0.9211    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -0.8185    0.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314   -0.2485   -1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105    0.1656    0.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    0.7332   -0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947   -1.6336   -1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -2.1996    0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9729   -1.1999    0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9645   -0.6337   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7283   -2.9977   -1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7328   -3.5629   -0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0065   -2.5712    0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0019   -2.0039   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7597   -4.3648   -2.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7641   -4.9313   -0.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0326   -3.9282   -0.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0285   -3.3586   -2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7931   -5.7170   -2.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950   -6.2868   -1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0641   -5.2856   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0617   -4.7137   -2.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8258   -7.0702   -3.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8254   -7.6435   -1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0972   -6.6477   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0974   -6.0748   -3.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8546   -8.4319   -3.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8538   -9.0054   -2.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1318   -8.0242   -1.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1327   -7.4514   -3.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8884   -9.8119   -4.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8883  -10.3849   -2.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1624   -9.3907   -2.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1630   -8.8225   -3.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0101  -11.1778   -4.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0039  -11.7646   -3.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2018  -12.8960   -4.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2292  -11.2053   -4.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6957  -10.4114   -6.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5727  -11.5544   -8.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2053  -13.0305   -7.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 56  1  0  0  0  0
 16 57  1  0  0  0  0
 17 18  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2172👍, 0💬