Molecule FYI-1005189

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A

Molecule Summary:

ID: FYI-1005189
Names:
InChIKey: HYKHNTGFQGLPIL-UHFFFAOYSA-N
SMILES: C3=CC2CCC1CC=CC1C2C=C3

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005189 Edit

Molecule Structure InChIKey: HYKHNTGFQGLPIL-UHFFFAOYSA-N

Molecule Structure SMILES String: C3=CC2CCC1CC=CC1C2C=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005189
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    2.4248    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
    0.0000    4.2000    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
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005189-3D
FYIcenter.com

 29 31  0  0  1  0  0  0  0  0999 V2000
    2.8759   -0.6974    1.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8030   -0.0483    2.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854    1.0965    1.3667 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0756    0.4820    0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2989    1.2860   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967    2.7599   -0.6405 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1775    3.4617   -1.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189    3.2948   -2.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133    3.0084   -1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171    2.9318   -0.4174 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2535    1.8959    0.5561 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3015    0.9694   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5268   -0.2573    0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886   -1.5594    2.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3219   -0.3760    3.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261    1.7931    2.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8163    0.3367    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516   -0.5268    0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774    1.1944   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786    0.8180   -1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741    3.2374    0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836    4.5291   -1.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0082    3.0118   -2.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2415    3.4056   -3.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1432    2.8881   -2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    3.9289    0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8112    2.4998    1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254    1.3200   -0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2666   -0.9092    0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$

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2023-10-27, 593👍, 0💬