Molecule FYI-1016543

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A

Molecule Summary:

ID: FYI-1016543
Names:
InChIKey: YEBLQTSFTJXFMH-UHFFFAOYSA-N
SMILES: COC(=O)C#CCc1ccccc1

Received at FYIcenter.com on: 2026-01-19

Molecule ID: FYI-1016543 Edit

Molecule Structure InChIKey: YEBLQTSFTJXFMH-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C#CCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016543
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  3  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016543-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
   -3.0779    1.2151   -0.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0698   -0.8526    0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445   -0.7012   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6708   -1.7458   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0248   -1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491   -0.4318    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    0.9419   -1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434    0.5350    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222    1.2219    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760   -1.1731   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773   -0.7038   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959   -0.1388    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3525    1.8580    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7819   -2.2415   -1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -2.5360    0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8169   -0.2340   -2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -0.9600    2.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    1.4771   -1.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    0.7534    2.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963    1.9748    0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7932    1.6680    1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0182    1.5103   -0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008    2.9346   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2026-04-13, 513👍, 0💬