Molecule FYI-1006756

Home > Molecule

A

Molecule Summary:

ID: FYI-1006756
Names:
InChIKey: LQERIDTXQFOHKA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006756 Edit

Molecule Structure InChIKey: LQERIDTXQFOHKA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006756
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
   15.8062    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4494    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1632    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0925    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5202    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7355    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8772    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3785    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2339    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0217    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5909    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6648    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9479    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3078    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3047    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9508    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5940    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186    1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0502    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5625    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2055    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6932    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9193    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4072    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3364    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8485    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2762    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4916    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9794    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6332    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1209    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6225    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1348    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4779    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9902    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7778    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2655    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8349    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9087    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4208    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7040    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0638    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5517    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0609    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5486    2.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1948    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7071    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9056    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4179    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1822    0.8310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6127    2.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0059    2.8683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6068    2.8683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4305    0.8310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 17  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 18  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 19  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006756-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    0.8765    0.0380   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3943    0.0450   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    0.1204   -1.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    0.1257   -1.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696    0.2028   -2.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4897    0.2060   -2.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    0.2858   -4.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5236    0.2871   -4.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0374    0.3685   -5.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5553    0.3668   -5.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0690    0.4515   -7.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5874    0.4505   -7.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1018    0.5337   -8.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6217    0.5335   -8.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1392    0.6159  -10.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6620    0.6157  -10.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1796    0.6992  -11.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7024    0.6994  -11.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2118    0.7828  -12.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019   -0.0162    0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890   -0.8237   -0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811    0.9481   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7661   -0.8624    0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7584    0.9009    0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535    1.0281   -1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -0.7344   -2.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305   -0.7829   -0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251    0.9805   -0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    1.1120   -3.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.6509   -3.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690   -0.7036   -2.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656    1.0597   -2.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6291    1.1967   -4.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6298   -0.5665   -4.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9003   -0.6244   -3.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8994    1.1388   -3.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623    1.2806   -6.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -0.4825   -6.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314   -0.5439   -5.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9321    1.2193   -5.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6930    1.3631   -7.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6920   -0.3998   -7.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9626   -0.4615   -6.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9633    1.3013   -6.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7247    1.4464   -9.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7239   -0.3166   -9.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9951   -0.3794   -8.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9962    1.3830   -8.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7624    1.5295  -10.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7610   -0.2330  -10.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0343   -0.2975   -9.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0361    1.4656   -9.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7995    1.6116  -11.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7979   -0.1503  -12.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0850   -0.2130  -11.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0864    1.5495  -10.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8660   -0.0712  -13.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3059    0.7828  -12.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8674    1.7006  -13.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 1564👍, 0💬