Molecule FYI-1003385

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Molecule Summary:

ID: FYI-1003385
Names:
InChIKey: LRMTVOAFUIEKRV-UHFFFAOYSA-N
SMILES: CC1=C=CC(C)CC1C

Received at FYIcenter.com on: 2023-06-10

Molecule ID: FYI-1003385 Edit

Molecule Structure InChIKey: LRMTVOAFUIEKRV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=C=CC(C)CC1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003385
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003385-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
    0.8230   -0.9599   -0.3836 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7275   -1.0104   -0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6048   -0.1064    0.2865 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2716    0.4884   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1856   -1.8315    0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528    1.2563    0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    0.0286   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182    1.2816    0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7077    0.8531   -0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294   -1.3631   -1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0836   -2.0469   -0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8885   -0.6867   -1.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6594   -0.5862    1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8598   -2.8648    0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688   -1.8489    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7157   -1.4696    1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597    2.0683    0.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0253    0.5210   -1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6494    0.6195    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4863   -0.9561   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3184    0.3652    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    1.9344   -0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0717    0.5431   -1.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$

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2023-07-01, 2011👍, 0💬