Molecule FYI-1005187

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A

Molecule Summary:

ID: FYI-1005187
Names:
InChIKey: IPOMLSMRFPLARI-UHFFFAOYSA-N
SMILES: C1CC2CC3CC1CC2C3

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005187 Edit

Molecule Structure InChIKey: IPOMLSMRFPLARI-UHFFFAOYSA-N

Molecule Structure SMILES String: C1CC2CC3CC1CC2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005187
FYIcenter.com

 10 12  0  0  0  0  0  0  0  0999 V2000
    0.6620    1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034    2.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034    1.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818    3.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    2.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091    1.9433    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005187-3D
FYIcenter.com

 26 28  0     1  0  0  0  0  0999 V2000
   -0.4827    0.3499   -1.2678 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0851    1.3831   -0.2435 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3918   -0.2037    0.8287 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8519   -1.2802    0.0593 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8083   -0.0808   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.1577    1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107   -0.8998   -1.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -1.3639    0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767    1.1745    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -0.2367    0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317    0.7870   -2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812    2.4045   -0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521   -0.3476    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3431   -2.2607    0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2032   -1.0157   -1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718    0.6960   -0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394    1.2043    1.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    1.9325    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -0.7026   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331   -1.7297   -1.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100   -2.3031    0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0571   -1.4233    2.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    1.9167    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    1.3418   -0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -0.5217    0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9201   -0.2333    1.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 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
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

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2023-11-02, 746👍, 0💬