Molecule FYI-1006980

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A

Molecule Summary:

ID: FYI-1006980
Names:
InChIKey: VLXDPFLIRFYIME-UHFFFAOYSA-N
SMILES: CC2=CCC1C3C(C(C)C)CCC1(C)C23

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006980 Edit

Molecule Structure InChIKey: VLXDPFLIRFYIME-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2=CCC1C3C(C(C)C)CCC1(C)C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006980
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.1900    2.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9888    3.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2656    4.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0785    2.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265    2.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657    1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150    1.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836    2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9135    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  8  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
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006980-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
    0.9008   -1.2223    0.0892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3166    0.4089   -0.4809 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7136   -0.4736   -1.2786 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7001    0.2155    0.7173 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6839   -0.2816   -0.3246 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2144   -2.2367    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430   -1.5130    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615    0.2897   -1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9199    1.0836    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488   -1.8886    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7037    0.6993    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5129    1.1023   -0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3852    1.8510    1.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145    1.9375   -0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0667    0.0279    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3645    1.4179   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885   -1.0727   -2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2666    0.2447    1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200   -0.6132   -1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039   -2.8377    1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024   -2.9341   -0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3713   -2.2145    0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -1.2053    1.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960    0.9594   -2.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220   -0.4060   -2.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427   -2.7723   -0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -1.2673    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471   -2.2288    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3809    1.0385    1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3994    1.7024   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    2.5367    2.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2794    2.4431    1.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    1.1681    2.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8937    1.6726   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7071    2.5186   -0.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9696    2.6193   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4140   -0.3957   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8178    0.7515    0.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0460   -0.7713    1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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2024-01-31, 978👍, 0💬