Molecule FYI-1006218

A

Molecule Summary:

ID: FYI-1006218
Names:
InChIKey: OENHQHLEOONYIE-MEIAXJFUSA-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: 2023-12-03

Molecule ID: FYI-1006218 Edit

Molecule Structure InChIKey: OENHQHLEOONYIE-MEIAXJFUSA-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-1006218
FYIcenter.com

 40 41  0  0  0  0  0  0  0  0999 V2000
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6991    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.1000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  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
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19  2  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 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 38 32  1  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006218-3D
FYIcenter.com

 96 97  0     0  0  0  0  0  0999 V2000
  -11.5702    0.5762    0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6517   -0.0461   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7899   -0.3377    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2941   -1.4546   -0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3947   -1.7972    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3314   -2.1911    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3597    0.2215   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3649   -0.0830    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4071   -1.9653   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9184   -2.3806    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3103   -0.9207   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0314   -1.1572    0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1769    0.4190    2.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0587    2.0276    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3736    0.4280   -2.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6753    0.9170   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2660    1.1792   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482    1.1189    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1955   -1.3202   -1.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7719   -1.3004    1.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9739    0.8157   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2057    1.0949    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8202    1.7153   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3199    2.2587    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0896    3.2007   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9666    3.6250    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5398    1.2869   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9713    2.1851    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0386   -0.0732   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305    1.0016    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7349   -0.3968   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7880    1.0697    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1641   -1.7472   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607   -0.0623    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1295   -2.9054   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4475   -1.4530    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192   -1.8679   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    0.0783   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8329   -0.8043   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5025   -0.9551   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5469   -0.2378    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2761   -0.0204   -0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7265   -2.0625   -1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3119   -1.3777   -1.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2834   -2.4105    0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9552   -2.1656    1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9369   -1.6393    1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8099   -3.1691    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9623   -2.9652   -0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9514   -1.9329   -1.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4345   -3.2039    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9987   -2.6930    2.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3993    1.1365    2.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7895   -0.5826    2.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0364    0.5942    2.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0092    2.2057    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2187    2.2314   -0.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3530    2.7704    0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0325    1.4689   -2.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -0.1892   -2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2798    0.3687   -2.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3418    1.9595   -0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6398    0.8711   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8537    0.6761    0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5353    2.2275   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0848    2.0615    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6490   -0.4712   -2.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6115   -1.8431   -2.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5006   -2.0065   -1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4195   -0.3581    2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9555   -1.9400    2.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9795   -1.7789    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7412   -0.2387   -0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    0.1388   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6793    3.4716    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1672    3.7909   -0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6305    3.5141   -1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5688    3.7756    0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6074    3.7449   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2295    4.4353    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7574    2.0461   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165    3.1236    0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7740   -0.8692   -0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6203    0.0358    0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648    0.4543   -0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    2.0505   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7439   -2.8908   -0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5965   -3.8627   -0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7822   -2.8858    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468   -2.2830   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0232   -1.6165    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -1.5710   -0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055   -2.8757   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1154    1.0917   -0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696    0.2253   -0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8426   -1.9846    0.0246 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

2023-12-10, 255👍, 0💬