Molecule FYI-1001979

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Molecule Summary:

ID: FYI-1001979
SMILES: CC(C)(COC(=O)C=C)COC(=O)C=C

Received at FYIcenter.com on: 2023-01-10

Molecule ID: FYI-1001979 Edit

Molecule Structure SMILES String: CC(C)(COC(=O)C=C)COC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001979
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.7622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    0.0000    1.4000    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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001979-3D
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
    0.9531    0.0503   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4927    0.0190   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758   -1.2057    0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9507   -0.0922   -1.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -0.1688   -1.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820   -1.2897   -2.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415   -2.2319   -2.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3567   -1.1948   -2.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0786   -2.1900   -2.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611    1.3159    0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709    1.4464    1.9380 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    1.4999    2.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    1.4479    2.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113    1.6371    4.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9212    1.7119    5.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324   -0.8538   -0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.9109   -0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689    0.1124    0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148   -2.1358    0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102   -1.1835    1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0692   -1.2541    0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427    0.7985   -2.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592   -0.9473   -2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8224   -0.3090   -1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6017   -3.0762   -3.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612   -2.1440   -2.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561    2.1903    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1490    1.3550    0.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0338    1.6724    4.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031    1.6753    5.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5233    1.8110    6.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-03, 1513👍, 0💬