Molecule FYI-1001560

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A

Molecule Summary:

ID: FYI-1001560
SMILES: O(C/C=C(/CCC=C(C)C)\\C)C(=O)CCC

Received at FYIcenter.com on: 2022-09-09

Molecule ID: FYI-1001560 Edit

Molecule Structure SMILES String: O(C/C=C(/CCC=C(C)C)C)C(=O)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001560
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    7.3243    4.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    5.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    6.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    5.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    6.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    7.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    5.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    4.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    3.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    4.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    3.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    3.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    3.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    7.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    8.4574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    8.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5450    7.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7657    8.4574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5450    6.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9545    6.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2497    5.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6195    9.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0290    9.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23  3  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 25  1  0  0  0  0
 32 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001560-3D
FYIcenter.com

 40 39  0  0  0  0  0  0  0  0999 V2000
    0.8893   -1.8341    0.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415   -0.9333   -0.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418   -0.7678   -0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152   -1.4577   -1.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5095   -1.2092   -1.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8623   -0.0677   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3326    0.1761    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8162    1.1364    0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9479    2.0756    1.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2936    1.3501    1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270   -2.5809   -2.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856   -2.9714   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7282   -3.2527   -1.4145 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622   -3.8672    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -4.3114    1.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3610   -5.0906    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -1.2270   -1.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243    0.0342   -0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.0178    0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9663   -2.1383   -0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9594   -0.9983   -2.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4148    0.8579   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4225   -0.2937    0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0233   -0.4654   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8768    1.9057    1.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1529    1.9619    2.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1508    3.1119    1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8907    0.6495    0.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5682    2.3653    0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5673    1.2165    2.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -2.7629   -2.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584   -2.3575   -3.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -3.5137   -1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975   -3.3384    1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3687   -4.7487    0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1898   -3.4441    2.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0382   -4.9467    2.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7867   -4.4796    0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1824   -5.4074    1.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -5.9852    0.5029 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
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1923👍, 0💬