Molecule FYI-1005629

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A

Molecule Summary:

ID: FYI-1005629
Names:
InChIKey: WSUNZGAWGFCXRR-UHFFFAOYSA-N
SMILES: C3CCC2CCC1CCCCC1C2CC3

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005629 Edit

Molecule Structure InChIKey: WSUNZGAWGFCXRR-UHFFFAOYSA-N

Molecule Structure SMILES String: C3CCC2CCC1CCCCC1C2CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005629
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7291    1.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473    1.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2617    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9766    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9766    2.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978    2.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191    2.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675    3.7773    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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  3  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
 15  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005629-3D
FYIcenter.com

 41 43  0     1  0  0  0  0  0999 V2000
    0.6545   -0.3124    0.1358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5824   -0.0503    1.0334 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5882    0.9258    0.1371 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3473    1.2358    0.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8473    2.2091   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    2.4352    0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646   -1.5461    0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272   -1.2449    1.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988    0.7024   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    1.1879   -0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6837   -1.7736   -0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804   -0.5434   -0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9996   -2.0415    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499    0.0843   -0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5281   -1.2682   -1.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3154   -0.4867   -0.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.1642    2.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9684    1.0656    1.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0976    1.4355    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209    3.0688   -0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547    2.1735   -1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    2.6193    1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    3.3462    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -2.4511    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934   -1.4190    1.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081   -0.8978    1.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362   -1.9527    1.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651    1.5725   -0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    0.6014   -1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267    2.1465   -0.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.1238   -1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3489   -2.0334   -1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -2.6282    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -0.3797    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3954   -0.7161   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7955   -2.7136    0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021   -2.7083   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8008    0.3509   -1.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7961    0.0375    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817   -1.8949   -1.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7269   -1.1461   -1.8984 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  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1432👍, 0💬