Molecule FYI-1016734

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A

Molecule Summary:

ID: FYI-1016734
Names:
InChIKey: MTWCQPOUOZDDMW-UHFFFAOYSA-N
SMILES: CC1CC2C=C(CCCC1=O)CCC2

Received at FYIcenter.com on: 2026-03-04

Molecule ID: FYI-1016734 Edit

Molecule Structure InChIKey: MTWCQPOUOZDDMW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1CC2C=C(CCCC1=O)CCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016734
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4626    2.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626    3.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313    4.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313    1.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8716    3.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    2.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475    1.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9087    0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2472    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    3.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1464    1.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016734-3D
FYIcenter.com

 34 35  0  0  1  0  0  0  0  0999 V2000
    1.0913   -0.1405   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109   -0.2528    0.1715 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3043    0.9863   -0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4256    1.6526    0.4143 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3456    0.5578    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4072    0.2081    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7433   -1.2484   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097   -1.9853   -0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460   -2.2656    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002   -1.5661   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062   -2.0607   -1.4418 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1002    1.2153   -0.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6543    2.6383   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.7387   -0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    0.7787    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -0.9873    0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186   -0.1293   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7739   -0.3131    1.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5632    1.7656   -0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7254    0.6932   -1.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9710    2.1205    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9333   -0.1208    1.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9412   -1.7204    0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6641   -1.3418   -0.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -2.9475   -1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3524   -1.4271   -1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660   -2.0747    1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301   -3.3415    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8859    1.0012   -1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1838    1.1419   -0.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058    3.3601   -1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034    2.9017    0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8236    2.6770   -1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    3.7304   -0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

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