Molecule FYI-1001584

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A

Molecule Summary:

ID: FYI-1001584
SMILES: CC(=O)c1ccc(C(C)C)cc1

Received at FYIcenter.com on: 2022-09-20

Molecule ID: FYI-1001584 Edit

Molecule Structure SMILES String: CC(=O)c1ccc(C(C)C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001584
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    1.4000    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001584-3D
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2836   -0.0192    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4624   -0.1050   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8277   -1.1830   -0.5687 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    1.1492   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621    2.4077   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4604    3.5583   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5895    3.4731   -1.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069    4.7400   -1.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381    4.7943   -1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2867    4.8945   -3.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172    2.2057   -1.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    1.0553   -1.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9152   -1.0284    1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751    0.5511    0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842    0.4311    1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878    2.5268    0.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1071    4.5273   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724    5.6042   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3518    3.9705   -1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455    4.7390   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2235    5.7326   -1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384    4.0921   -3.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7404    5.8458   -3.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    4.8794   -3.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8927    2.0996   -2.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    0.0844   -1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 392👍, 0💬