Molecule FYI-1012956

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A

Molecule Summary:

ID: FYI-1012956
Names:
InChIKey: JJOSUMXBPISTSV-CMDGGOBGSA-N
SMILES: C=C(/C=C(C)/C(=O)OC)C(=O)OCCCC

Received at FYIcenter.com on: 2024-10-31

Molecule ID: FYI-1012956 Edit

Molecule Structure InChIKey: JJOSUMXBPISTSV-CMDGGOBGSA-N

Molecule Structure SMILES String: C=C(/C=C(C)/C(=O)OC)C(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012956
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.3368    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
   10.9119    2.1000    0.0000 C   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
    8.4871    2.1000    0.0000 O   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
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   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 O   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
    6.0621    3.5000    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
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012956-3D
FYIcenter.com

 34 33  0     0  0  0  0  0  0999 V2000
   -1.6156   -0.5147   -0.0466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -2.7502   -0.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0986    1.0981    0.1361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807    1.9882   -0.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3565    1.1293    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8586    1.3938    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0334   -0.3316   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1800    2.8444    0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1709   -1.7815   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185   -1.8152   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1044   -0.6187   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494   -0.1720    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -0.8578    1.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7766    1.0965   -0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8728   -2.9708    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325    2.2622   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332    1.7638   -0.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551    1.4062    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760    0.7452    0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2459    1.1506   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3796   -0.6090   -1.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209   -0.9745    0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7021    3.5203   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8356    3.1089    1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2607    3.0119    0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.0432   -1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734   -1.5142    1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532   -0.1190    2.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193   -1.4319    2.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2684   -3.8456    0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449   -3.1096    0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8704    2.1337    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4227    3.1515    0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.3729   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-11-23, 204👍, 0💬