Molecule FYI-1007933

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A

Molecule Summary:

ID: FYI-1007933
Names:
InChIKey: NAEOWURDYXPYAT-UHFFFAOYSA-N
SMILES: C=C1CC1C(C)(C)C

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007933 Edit

Molecule Structure InChIKey: NAEOWURDYXPYAT-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C1CC1C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007933
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.9124    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007933-3D
FYIcenter.com

 22 22  0     1  0  0  0  0  0999 V2000
    0.2716   -0.3885   -0.6983 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0029    0.1012    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618   -1.3909    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907   -0.0365   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549   -0.8700   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611    0.1632    1.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3673    1.4998   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    0.9218    0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921   -0.4714   -1.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -2.1164   -0.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -1.7051    1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -1.8817    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811   -0.5511    0.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487   -0.9360   -1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734    0.8080    1.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317   -0.8220    1.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6465    0.5898    2.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5178    1.4912   -1.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2889    1.8685   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737    2.2248   -0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878    1.9290   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2738    0.7256    0.6281 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  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  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
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$

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2024-04-14, 164👍, 0💬