Molecule FYI-1001956

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Molecule Summary:

ID: FYI-1001956
SMILES: C1(CC(CC(C1)[Cl])CC(CCC(C)CC2=CC=CC=C2)C)[Cl]

Received at FYIcenter.com on: 2023-01-05

Molecule ID: FYI-1001956 Edit

Molecule Structure SMILES String: C1(CC(CC(C1)[Cl])CC(CCC(C)CC2=CC=CC=C2)C)[Cl]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001956
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 Cl  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
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  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 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21  9  1  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001956-3D
FYIcenter.com

 52 53  0  0  1  0  0  0  0  0999 V2000
   -1.6822    0.1952    0.2559 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7526   -0.9540    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -0.9478   -0.0302 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4882   -0.7494   -1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3851    0.4609   -1.8950 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7702    0.3528   -1.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562    0.5895   -3.6718 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3499   -2.2798    0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -2.5051   -0.2038 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8570   -1.5228    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -1.6765    1.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0915   -0.8061    2.5946 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8959    0.6876    2.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446   -1.1716    4.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395   -0.4783    5.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2745    0.3178    6.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0762    0.8956    7.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4557    0.6892    7.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0291   -0.0916    6.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2273   -0.6759    5.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882   -3.9637    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438    1.7251    1.0136 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840    0.0023    0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630   -1.8934    0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -0.9628    1.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -0.1137    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0506   -1.6546   -1.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779   -0.6210   -2.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1119    1.3815   -1.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967   -0.5198   -1.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    1.2278   -1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -3.0971   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351   -2.4086    1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947   -2.4011   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754   -0.4961    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163   -1.7167   -0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252   -2.7148    2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0727   -1.5085    2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0954   -1.0849    2.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    1.0102    2.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0601    0.9289    1.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101    1.2855    2.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079   -2.2514    4.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001   -1.0049    4.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1970    0.4728    6.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6278    1.4980    7.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0812    1.1325    7.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1017   -0.2637    6.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6827   -1.3070    4.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0984   -4.1913    1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2189   -4.1682   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5327   -4.6661   -0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  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  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
M  END
$$$$

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2023-01-30, 890👍, 0💬