Molecule FYI-1005535

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Molecule Summary:

ID: FYI-1005535
Names:
InChIKey: QUBBAXISAHIDNM-UHFFFAOYSA-N
SMILES: CCc1cccc(C)c1C

Received at FYIcenter.com on: 2023-11-02

Molecule ID: FYI-1005535 Edit

Molecule Structure InChIKey: QUBBAXISAHIDNM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1cccc(C)c1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005535
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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    1.4000    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
    3.6373    1.4000    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  1  1  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  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005535-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    0.8355    0.2720   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -0.7018   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -0.1055   -0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4811   -0.3243    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005    1.6232   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159    1.0268    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036   -2.1507   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251    2.0005    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0365   -0.2925    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609   -1.3475    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453   -1.0038   -1.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7544    0.6796   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    2.3932   -0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    1.3384    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1343   -2.3802    0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -2.8131    0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3093   -2.4394   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856    3.0525    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    0.6345    1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0725   -0.5725    0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995   -1.0720    1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707   -2.0258   -0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350   -1.9196    1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521   -0.8815    0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

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2023-11-09, 2068👍, 0💬