Molecule FYI-1015834

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A

Molecule Summary:

ID: FYI-1015834
Names:
InChIKey: OPSSCPNCFKJCFR-ANKZSMJWSA-N
SMILES: C/C(=C\\C=O)/C=C/C1=C(C)CCCC1(C)C

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

Molecule ID: FYI-1015834 Edit

Molecule Structure InChIKey: OPSSCPNCFKJCFR-ANKZSMJWSA-N

Molecule Structure SMILES String: C/C(=C\C=O)/C=C/C1=C(C)CCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015834
FYIcenter.com

 16 16  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
    3.6373    0.0000    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
 14 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015834-3D
FYIcenter.com

 38 38  0     0  0  0  0  0  0999 V2000
    5.9213    0.6403   -0.6609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567   -1.0490   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7963   -0.4716   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050    0.8978   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938    0.0182    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9780    1.8797    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    1.3385    0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1079   -1.5722   -1.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3218   -2.2509    0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0549   -0.4827    0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6347    2.4392    0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.1496   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5189   -0.2924    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7499   -1.5763    0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943    0.3657   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138   -0.0340   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1049   -0.3857    1.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5122   -1.1552   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375    1.2608   -0.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6574    0.8411   -1.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353    2.1934    0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    2.7766   -0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.7590   -2.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1496   -2.0998   -1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8892   -2.2779   -1.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814   -2.9121    0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274   -2.8692    0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3549   -1.9183    1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1507   -1.3832    1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    2.1024    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1614    3.2006    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313    2.9335   -0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367    1.0347   -0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147   -1.4579    1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -1.9521    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -2.3903    0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485    1.2918   -0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494   -0.9484    0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  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 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  2  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$

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2025-10-24, 352👍, 0💬