Molecule FYI-1015833

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A

Molecule Summary:

ID: FYI-1015833
Names:
InChIKey: QXLJGSKTHHEWKG-ANKZSMJWSA-N
SMILES: C/C(=C\\C=O)/C=C/C1=CCCCC1(C)C

Received at FYIcenter.com on: 2025-10-19

Molecule ID: FYI-1015833 Edit

Molecule Structure InChIKey: QXLJGSKTHHEWKG-ANKZSMJWSA-N

Molecule Structure SMILES String: C/C(=C\C=O)/C=C/C1=CCCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015833
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  8  2  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015833-3D
FYIcenter.com

 35 35  0     0  0  0  0  0  0999 V2000
   -5.9135   -0.7674   -0.5019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    0.8383   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7007    0.0752   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468   -1.1291    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   -0.1417    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8882   -2.1191    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    1.7801   -1.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204    1.6979    0.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5506   -1.4602    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0099    0.3738    0.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1104   -0.2722   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865    0.1849    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    1.5051    0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5773   -0.4896   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9906   -0.0759   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.7514   -0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368   -0.2785   -1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -0.8026    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424   -1.6266   -0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0433   -2.8200    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790   -2.7122   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6699    1.2120   -2.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1878    2.4423   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385    2.4202   -1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0852    1.0798    1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6787    2.3423    0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986    2.3546    1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488   -2.1383    0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0695    1.3304    0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255   -1.2188   -0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2568    1.4588    1.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7136    1.8476    1.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1852    2.3053    0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4504   -1.4419   -0.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076    0.8697    0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
$$$$

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2025-10-24, 829👍, 0💬