Molecule FYI-1013641

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A

Molecule Summary:

ID: FYI-1013641
Names:
InChIKey: WBYWAXJHAXSJNI-SREVYHEPSA-N
SMILES: O=C(O)/C=C\\c1ccccc1

Received at FYIcenter.com on: 2025-01-19

Molecule ID: FYI-1013641 Edit

Molecule Structure InChIKey: WBYWAXJHAXSJNI-SREVYHEPSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013641
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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
    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  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
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013641-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    3.4119    0.8064   -0.0751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    0.9204    1.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4687   -0.6661   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4556   -1.1761    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503    0.5715   -0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497   -1.4248   -0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242   -0.4488    0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190    1.2988   -0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058    0.7886    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -1.0012   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    0.3311    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -2.1389    1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985    0.9826   -1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6183   -2.4160   -0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3927   -0.8459    1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    2.2609   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7160    1.3546    0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   -1.6154   -0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    1.6938    0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2025-02-16, 743👍, 0💬