Molecule FYI-1006354

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Molecule Summary:

ID: FYI-1006354
Names:
InChIKey: ZWLUXSQADUDCSB-UHFFFAOYSA-N
SMILES: O=Cc1ccccc1C=O

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006354 Edit

Molecule Structure InChIKey: ZWLUXSQADUDCSB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc1ccccc1C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006354
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006354-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    2.6107   -1.5581   -0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -1.5590    0.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6928   -0.2050    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.2052   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3855    1.0031    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3859    1.0027   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924    2.2110    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6932    2.2108   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450   -1.4499    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -1.4504   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648    1.0251    0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4651    1.0243   -0.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314    3.1518    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326    3.1515   -0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262   -2.3278    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257   -2.3281   -0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2023-12-29, 346👍, 0💬