Molecule FYI-1006180

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Molecule Summary:

ID: FYI-1006180
Names:
InChIKey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N
SMILES: c2ccc1CCCCc1c2

Received at FYIcenter.com on: 2023-11-30

Molecule ID: FYI-1006180 Edit

Molecule Structure InChIKey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1CCCCc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006180
FYIcenter.com

 10 11  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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  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  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006180-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -2.4812   -0.6809    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812    0.6809   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -1.4903   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569    1.4903    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -0.7034   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285    0.7034    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508   -1.3913   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    1.3913    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588   -0.6952   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588    0.6953    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929   -1.2323    0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -0.5458    1.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3930    1.2324   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4816    0.5457   -1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917   -1.8368   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1834   -2.3777    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917    1.8372    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    2.3775   -0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -2.4775   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663    2.4775    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3990   -1.2384   -0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3990    1.2384    0.0534 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 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

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2023-12-08, 1237👍, 0💬