Molecule FYI-1002444

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A

Molecule Summary:

ID: FYI-1002444
Names:
InChIKey: ZNBVIYMIVFKTIW-UHFFFAOYSA-N
SMILES: CCCc1ccc(C(C)=O)cc1

Received at FYIcenter.com on: 2023-03-23

Molecule ID: FYI-1002444 Edit

Molecule Structure InChIKey: ZNBVIYMIVFKTIW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1ccc(C(C)=O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002444
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    1.4000    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
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  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  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002444-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
   -3.5991   -1.1252   -0.2885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120   -0.0023    0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351   -0.0163    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4853    0.0275   -0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305    1.1851    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5584   -1.2306    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271   -0.0419    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890    0.0761   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    1.1723    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8228   -1.2433    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.0554   -0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7436    1.2541   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    0.8660    1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -0.8811    1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2382   -0.8586   -1.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832    0.9009   -1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470    2.1374    0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   -2.1732    0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740    0.9720    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316   -0.8018    0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126    0.0952   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    2.1295    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3274   -2.2018    0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963    1.8437   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6474    1.8135    0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8044    1.0316   -0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-05, 1397👍, 0💬