Molecule Editor

Molecule ID: FYI-1016263 Edit

Molecule Structure InChIKey: ZQTTYOXHWOFAJQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1OC1C2CC3OC2C3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016263
FYIcenter.com

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.8404    1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054    1.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447    2.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770    3.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703    4.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2328    4.8020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7582    4.6139    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
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016263-3D
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
    5.5399   -0.7956   -1.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.4994   -0.6817 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8773   -1.6645   -0.1163 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0109   -0.7973   -0.8695 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4303   -1.4405   -2.0898 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5450   -0.4881   -2.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306   -1.2525   -2.7875 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1446   -1.6161   -1.3301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411   -2.4537   -1.7228 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5035   -2.7791   -3.0071 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1548   -3.2838   -4.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5212   -0.8156   -1.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5596   -0.0181   -2.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3977   -1.7643   -2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    0.3066   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919   -0.2171   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016   -1.8992   -2.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736   -0.4078   -3.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    0.5173   -2.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6978   -0.8375   -3.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416   -3.2709   -1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748   -3.4061   -2.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356   -2.7058   -4.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -3.2435   -5.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4669   -4.3261   -4.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$