Molecule FYI-1010787

Home > Molecule

A

Molecule Summary:

ID: FYI-1010787
Names:
InChIKey: UKBAAKDRBGMWAJ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCC1(C)OC(CCO)=CC1=O

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010787 Edit

Molecule Structure InChIKey: UKBAAKDRBGMWAJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCC1(C)OC(CCO)=CC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010787
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   23.4458    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2334    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0210    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8085    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5961    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3837    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1713    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9588    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7464    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5340    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3216    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    4.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769    6.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    3.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    2.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    2.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211    3.6253    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  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  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010787-3D
FYIcenter.com

 68 68  0  0  1  0  0  0  0  0999 V2000
    0.9770    0.0976   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919    0.0917   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0116   -1.2185    0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5295   -1.2274    0.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403   -2.5385    1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5575   -2.5448    1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0679   -3.8560    1.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5846   -3.8619    1.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0942   -5.1718    2.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6095   -5.1765    2.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1126   -6.4892    2.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6212   -6.4977    2.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1402   -7.8092    3.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6553   -7.8131    3.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1596   -6.6696    4.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6623   -6.6500    4.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2432   -5.5072    5.0702 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.7546   -4.1743    4.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6772   -5.8287    5.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8296   -6.5294    6.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9269   -7.5241    6.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3369   -6.9494    6.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5358   -5.9060    7.4770 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9050   -6.2716    7.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9529   -5.4323    6.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1262   -4.7681    7.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011    1.0382   -0.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933   -0.0160    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886   -0.7264   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655    0.9325    0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8609    0.2251   -1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371   -2.0610   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6395   -1.3548    1.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9079   -0.3893    1.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9056   -1.0935   -0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6639   -3.3781    0.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662   -2.6743    2.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9348   -1.7068    1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9325   -2.4085    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6902   -4.6945    1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947   -3.9920    2.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9628   -3.0228    2.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9581   -3.7275    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7176   -6.0112    1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7201   -5.3073    3.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9877   -4.3386    2.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9855   -5.0403    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424   -7.3259    2.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7441   -6.6248    3.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9649   -5.6460    3.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0100   -6.3551    1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7709   -8.6476    2.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7659   -7.9424    4.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0341   -7.7083    2.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0267   -8.7639    3.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7756   -6.7671    5.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7963   -5.7218    3.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0320   -6.5486    3.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0337   -7.6221    4.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8316   -4.1405    3.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2530   -3.3007    4.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6798   -4.0458    4.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8491   -8.3718    5.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7989   -7.9621    7.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5329   -6.5728    5.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0698   -7.7361    6.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9116   -5.1942    7.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8244   -6.5976    8.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 18 62  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 25  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 2136👍, 0💬