Molecule FYI-1007272

A

Molecule Summary:

ID: FYI-1007272
Names:
InChIKey: OENHQHLEOONYIE-LZMNTPPDSA-N
SMILES: C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)/C=C/C=C(C)\\C=C\\C2=C(C)CCCC2(C)C

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007272 Edit

Molecule Structure InChIKey: OENHQHLEOONYIE-LZMNTPPDSA-N

Molecule Structure SMILES String: C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)/C=C/C=C(C)\C=C\C2=C(C)CCCC2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007272
FYIcenter.com

 40 41  0  0  0  0  0  0  0  0999 V2000
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    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
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5487    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9487    0.1876    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
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 28  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 29  1  0  0  0  0
 37 25  1  0  0  0  0
 38 21  1  0  0  0  0
 39 16  1  0  0  0  0
 40 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007272-3D
FYIcenter.com

 96 97  0     0  0  0  0  0  0999 V2000
  -11.3680   -1.7618   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9318   -0.7784   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7705   -1.1460   -0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0288   -1.8210   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7277    0.3696   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4519   -3.2056   -0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2841   -1.0989    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7002   -0.9158    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8194    0.8098    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4686   -3.1716    0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5102    0.0520    0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5160   -1.9929    0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0050   -1.5771   -2.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5078   -3.2767   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6059    0.6095   -0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4982   -0.9786   -2.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9980   -1.7760    0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7392    0.1729    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5304    0.7377    1.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3744   -2.1843    1.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8255   -1.1230    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4101   -0.0184    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4939   -1.7291    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3855    1.0244    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4102   -3.2363    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8565    2.4590   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3481   -1.0157    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    0.7835    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1771    0.4223    0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.7383    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842    1.0393    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740    1.3608    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7425    2.4831   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    2.2449   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9509    3.3846   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568    3.7329   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4624    2.9125   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    1.7969   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559    2.1085   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081    2.5647   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1800   -1.5298    0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4743   -1.4516   -1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5659   -1.5100    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7801   -1.8700   -1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7368    0.7659   -0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3755    0.7921   -1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2574   -3.9149    0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9545   -3.5732   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6183    1.8816    0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3522    0.6907    1.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8977   -4.1085    0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272   -3.1495    1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7924   -1.9743   -2.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0784   -2.1045   -2.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8591   -0.5224   -2.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3847   -3.6920   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6280   -3.4692    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6441   -3.8494   -0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5636    0.6296   -1.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8068    0.8593    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9958    1.4106   -1.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3627   -0.9582   -2.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8146   -0.1867   -2.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9824   -1.9337   -2.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0168   -2.8552    0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1451    1.1776    0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0081    1.5464    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8067    0.0570    2.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0671    1.1843    2.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5888   -2.8038    1.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9493   -1.2467    2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7332   -2.7013    2.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8431   -0.0481    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0043   -1.0273    0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8743   -3.6303    1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3753   -3.5966    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9099   -3.6725   -0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    2.6028   -0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4588    2.6991    0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    3.2268   -0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103   -1.5720    0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7408   -0.2590    0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0775    1.0248    0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1954    2.7920   -0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1346    0.3680    0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4404    0.2982    0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5560    3.2638    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6549    4.4383   -0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5705    3.1785   -0.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3741    4.0408    0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812    4.3792   -0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939    3.9885   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940    3.9874   -0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795    0.7190    0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445    1.0306    0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999    3.6430   -0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  6  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  9  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6 10  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 12  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
 16 62  1  0  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 21  2  0  0  0  0
 17 65  1  0  0  0  0
 18 22  2  0  0  0  0
 18 66  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 20 70  1  0  0  0  0
 20 71  1  0  0  0  0
 20 72  1  0  0  0  0
 21 23  1  0  0  0  0
 21 73  1  0  0  0  0
 22 24  1  0  0  0  0
 22 74  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  2  0  0  0  0
 24 26  1  0  0  0  0
 24 28  2  0  0  0  0
 25 75  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 78  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 29  1  0  0  0  0
 27 81  1  0  0  0  0
 28 30  1  0  0  0  0
 28 82  1  0  0  0  0
 29 31  2  0  0  0  0
 29 83  1  0  0  0  0
 30 32  2  0  0  0  0
 30 84  1  0  0  0  0
 31 33  1  0  0  0  0
 31 85  1  0  0  0  0
 32 34  1  0  0  0  0
 32 86  1  0  0  0  0
 33 35  1  0  0  0  0
 33 37  2  0  0  0  0
 34 36  1  0  0  0  0
 34 38  2  0  0  0  0
 35 87  1  0  0  0  0
 35 88  1  0  0  0  0
 35 89  1  0  0  0  0
 36 90  1  0  0  0  0
 36 91  1  0  0  0  0
 36 92  1  0  0  0  0
 37 39  1  0  0  0  0
 37 93  1  0  0  0  0
 38 40  1  0  0  0  0
 38 94  1  0  0  0  0
 39 40  2  0  0  0  0
 39 95  1  0  0  0  0
 40 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 567👍, 0💬