Molecule FYI-1001546

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A

Molecule Summary:

ID: FYI-1001546
SMILES: CC1=CCC(CC1)C(=C)C

Received at FYIcenter.com on: 2022-09-01

Molecule ID: FYI-1001546 Edit

Molecule Structure SMILES String: CC1=CCC(CC1)C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001546
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001546-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    2.5484    0.0978    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.0758    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3192    1.1925   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    1.2132   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8566   -0.1043    0.2686 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0605   -1.3038   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047   -1.2796    0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3491   -0.1171   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9424   -1.0149   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2068    0.9468    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494    1.1148    0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -0.4761   -0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -0.3453    1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149    2.1552   -0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849    1.4636   -1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5288    2.0348    0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -0.1582    1.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0970   -1.3010   -1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072   -2.2487    0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9541   -2.0080   -0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4818   -1.6089    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4028   -1.8165   -1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0121   -0.9729   -1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6493    1.5429    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0494    0.4941    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5981    1.6276   -0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

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2022-10-01, 901👍, 0💬