Molecule FYI-1012370

A

Molecule Summary:

ID: FYI-1012370
Names:
InChIKey: LHXMOCVCLDZHGB-UHFFFAOYSA-N
SMILES: C1C3CC1C5C%10C2CC(C2)C8C3C7C4CC(C4)C5C%11C6CC(C6)C7C8C9CC(C9)C%10%11

Received at FYIcenter.com on: 2024-08-31

Molecule ID: FYI-1012370 Edit

Molecule Structure InChIKey: LHXMOCVCLDZHGB-UHFFFAOYSA-N

Molecule Structure SMILES String: C1C3CC1C5C%10C2CC(C2)C8C3C7C4CC(C4)C5C%11C6CC(C6)C7C8C9CC(C9)C%10%11

Download SDF Download SVG Structure in 2D SDF:

FYI-1012370
FYIcenter.com

 30 40  0  0  0  0  0  0  0  0999 V2000
    4.9626    1.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8116    0.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8782    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8198    1.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4242    2.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3146    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9665    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375    1.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1252    0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5989    0.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7085    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5437    2.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7479    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6834    3.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973    3.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0633    3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2153    3.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531    3.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663    3.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8072    3.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7700    2.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    3.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352    3.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722    3.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374    4.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    5.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    4.9606    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
  4  1  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  1  0  0  0  0
 25 11  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
 30  6  1  0  0  0  0
 30 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012370-3D
FYIcenter.com

 70 80  0  0  1  0  0  0  0  0999 V2000
   -2.9462    0.2308   -1.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578    1.3297   -1.3948 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3369    0.1993   -2.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.8861   -1.7408 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0419   -1.4199   -0.6297 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4803   -0.5939    0.7915 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7461    0.8372    1.1423 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7074    2.2896    2.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4523    3.2236    1.0849 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4512    2.2960    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1098    3.3879    0.4719 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6876    1.9814    0.1412 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1987    1.7340    0.5308 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5193    0.2517    0.6408 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6298   -1.3331    1.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461   -1.7279   -0.4383 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3143   -0.7039   -0.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8218   -1.3121   -1.0850 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0749    0.2450   -0.9079 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6194    1.5568   -1.0659 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0220    2.4079   -2.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9741    3.4098   -1.4401 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9710    3.3799   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    2.9264   -0.3460 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2212    3.4597    1.1852 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2972    2.2149    2.6612 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6125    0.7804    3.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -0.0086    2.2000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3948    0.8879    3.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0944   -0.1888    0.6879 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7081    0.4356   -2.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5913   -0.0635   -0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7751    2.2874   -1.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932   -0.0718   -3.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192    0.3482   -3.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4390   -1.7371   -2.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -2.4922   -0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7003   -1.3224    1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684    0.1978    1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844    2.5067    3.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6668    2.5536    2.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8051    4.2594    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4920    2.4638   -0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4804    2.5449    0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1144    4.0601   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529    1.5404    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927    2.2823    1.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    0.7959    1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -1.7870    1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6855   -1.6016    1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5481   -2.7389   -0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2773   -0.3927   -1.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808   -0.9438   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -2.0382   -0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380    0.7212   -1.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5887    1.2263   -0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1412    2.2413   -2.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    3.2642   -2.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    4.2025   -2.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597    4.2086    0.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115    3.8832   -0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    2.8438   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188    4.4021    1.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3487    2.9254    3.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    0.5498    2.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5445    0.4647    4.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837   -1.0663    2.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572    0.8775    2.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182    0.4717    4.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353    0.3070    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-28, 980👍, 0💬