Molecule FYI-1007553

Home > Molecule

A

Molecule Summary:

ID: FYI-1007553
Names:
InChIKey: JKHBSEMWNFTGPM-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007553 Edit

Molecule Structure InChIKey: JKHBSEMWNFTGPM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007553
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    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
   14.5493    1.4000    0.0000 C   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  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 17  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 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007553-3D
FYIcenter.com

 75 74  0  0  1  0  0  0  0  0999 V2000
    0.8668    0.0489   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3851    0.0557   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9166    0.7743    1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    0.7822    1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9587    1.5005    2.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4823    1.5093    2.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9959    2.2245    3.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5154    2.2326    3.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0280    2.9545    4.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    2.9630    4.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0567    3.6827    6.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5730    3.6840    6.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    4.3895    7.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6020    4.3708    7.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0488    5.0113    8.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4665    5.0371    8.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9869    5.7658    9.8748 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.5048    5.0910   11.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4243    5.7700    9.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9461    6.5296    8.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4760    6.5770    8.7913 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.0469    5.1580    8.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9649    7.2773    7.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5311    8.6442    7.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0780    9.3093    6.3029 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.5958    9.3206    6.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5887    8.6079    5.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -0.4687   -0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    1.0705   -0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4725   -0.4630    0.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    0.5496   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543   -0.9764   -0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    0.2795    2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    1.8057    1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8181    1.2808    0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   -0.2470    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859    1.0059    3.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5865    2.5317    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8615    2.0068    1.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8599    0.4787    2.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6223    1.7259    4.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6189    3.2550    3.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8921    2.7278    2.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8947    1.2032    3.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6566    2.4588    5.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6505    3.9843    4.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9203    3.4604    4.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    1.9340    4.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6830    3.1858    7.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6823    4.7134    6.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9475    4.1835    5.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9460    2.6523    6.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7201    3.9062    8.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7351    5.4260    7.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9805    4.9057    6.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9739    3.3392    7.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7908    5.5444    7.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8691    4.0172    8.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6165    6.7989    9.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8880    4.0720   11.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4107    5.0613   11.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8754    5.6332   12.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5263    7.5364    8.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6474    6.1085    7.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8473    7.0693    9.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7381    4.6428    7.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7199    4.5604    9.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1407    5.1826    8.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8572    9.1761    8.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4409    8.6798    7.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6996   10.3355    6.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0019    8.3043    6.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0092    9.8394    7.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9413    9.8264    5.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8287    7.6723    5.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 59  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 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 65  1  0  0  0  0
 22 66  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 69  1  0  0  0  0
 24 70  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 71  1  0  0  0  0
 26 72  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
 27 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 172👍, 0💬