Molecule FYI-1004985

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Molecule Summary:

ID: FYI-1004985
Names:
InChIKey: KYNSBQPICQTCGU-UHFFFAOYSA-N
SMILES: C2=Cc1ccccc1OC2

Received at FYIcenter.com on: 2023-10-05

Molecule ID: FYI-1004985 Edit

Molecule Structure InChIKey: KYNSBQPICQTCGU-UHFFFAOYSA-N

Molecule Structure SMILES String: C2=Cc1ccccc1OC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004985
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    2.4249    2.1000    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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004985-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -1.1456   -1.4418   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074    0.7130   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -0.6847   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4137   -0.7707    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2688    1.4358   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3984    0.7258    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    1.4026    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -1.3860   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.6996    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119   -0.6937    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9598   -1.1199    0.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9635   -1.1211   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2767    2.5191   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3538    1.2422    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350    2.4898    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073   -2.4729   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593    1.2393    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3503   -1.2403    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2023-10-13, 2522👍, 0💬