Molecule FYI-1007477

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A

Molecule Summary:

ID: FYI-1007477
Names:
InChIKey: GFBCBQNBXRPRQD-JLHYYAGUSA-N
SMILES: CCCC/C(C=O)=C\\c1ccccc1

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007477 Edit

Molecule Structure InChIKey: GFBCBQNBXRPRQD-JLHYYAGUSA-N

Molecule Structure SMILES String: CCCC/C(C=O)=C\c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007477
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007477-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
   -3.2274    2.2360    0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0013   -1.0133    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664    0.1008   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950   -2.2781   -0.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236    1.3087   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8530   -3.4153    0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    1.5576    0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729    0.6864    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0553    2.3210    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445   -0.3300    1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    0.8884   -0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478   -1.1585    0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2887    0.0598   -1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698   -0.9636   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736   -0.6481    0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2434   -1.2772    0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6331   -0.2880   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2336    0.3892   -1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398   -2.6241   -1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1969   -2.0380   -1.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -3.7084    0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7287   -3.1195    0.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229   -4.2902   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306    2.4534    1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7058    3.1750    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.4918    2.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    1.6822   -1.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9671   -1.9552    1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9289    0.2114   -1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288   -1.6087   -0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  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  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1520👍, 0💬