Molecule FYI-1009158

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A

Molecule Summary:

ID: FYI-1009158
Names:
InChIKey: KFGROPZLGDSAPK-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)CCC3CCCCC23

Received at FYIcenter.com on: 2024-05-03

Molecule ID: FYI-1009158 Edit

Molecule Structure InChIKey: KFGROPZLGDSAPK-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc2c(c1)CCC3CCCCC23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009158
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    2.4249    2.1000    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
    3.6373    2.8000    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
    6.0622    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   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
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
  4 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009158-3D
FYIcenter.com

 32 34  0     1  0  0  0  0  0999 V2000
   -1.4096    0.7661   -0.7237 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6837   -0.5778   -0.4823 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9318    0.5829   -0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -1.3729    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    1.7906    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5075   -0.1950    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079   -1.5369    0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071   -0.3888   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4879    2.0851    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3444    0.8520    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696   -1.4868   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    0.9696    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405   -1.3581   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5697   -0.1300    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.1654   -1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082   -1.1735   -1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1716    0.0438   -1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272    1.5583   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771   -0.8811    1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8426   -2.3692    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2555    1.4239    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638    2.7263    0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5794   -0.3589    0.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4123    0.3919    1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069   -2.0513    1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0244   -2.1748   -0.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7818    2.6475    1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816    2.7258   -0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733   -2.4542   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    1.9264    0.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6940   -2.2159   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6377   -0.0259    0.3500 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  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1171👍, 0💬