Molecule FYI-1015853

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Molecule Summary:

ID: FYI-1015853
Names:
InChIKey: JBSLOWBPDRZSMB-BQYQJAHWSA-N
SMILES: CCCCOC(=O)/C=C/C(=O)OCCCC

Received at FYIcenter.com on: 2025-10-23

Molecule ID: FYI-1015853 Edit

Molecule Structure InChIKey: JBSLOWBPDRZSMB-BQYQJAHWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015853
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 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
    8.4871    2.1000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   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
    2.4249    1.4000    0.0000 C   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  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015853-3D
FYIcenter.com

 36 35  0     0  0  0  0  0  0999 V2000
    2.9053    0.1324    0.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054   -0.1332    0.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404   -1.8628    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399    1.8616    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2901    0.4264    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2904   -0.4256    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6499   -0.2661   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6498    0.2677   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473   -0.5791    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1470    0.5791    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7877    0.7414   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7882   -0.7391   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.6429    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7874    0.6417    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6157    0.2606    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159   -0.2622    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913    1.0865   -0.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2028    1.0764    0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1918   -1.0861   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2037   -1.0754    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7567   -0.8945    0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7237   -0.9257   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7564    0.8964    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7230    0.9270   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2021   -1.2114   -0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2005   -1.2115    0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2012    1.2112   -0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    1.2118    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7618    1.3990    0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7521    0.2239   -0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7285    1.3628   -0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7629   -1.3964    0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7523   -0.2210   -0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7292   -1.3609   -0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7932    1.3308    0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7935   -1.3323    0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  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 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  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 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
$$$$

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2025-10-24, 423👍, 0💬