Molecule FYI-1006934

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A

Molecule Summary:

ID: FYI-1006934
Names:
InChIKey: UEDJSCQXZFTMLQ-ZDVGBALWSA-N
SMILES: CCCCC/C=C/C/C=C/CCCCCC(=O)OC

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006934 Edit

Molecule Structure InChIKey: UEDJSCQXZFTMLQ-ZDVGBALWSA-N

Molecule Structure SMILES String: CCCCC/C=C/C/C=C/CCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006934
FYIcenter.com

 49 48  0  0  0  0  0  0  0  0999 V2000
    2.5759    2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9363    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5266    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3463    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2475    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8376    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6573    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7562    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4276    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7067    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0672    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8870    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2968    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0177    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4771    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9858    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6682    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2046    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2583    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6146    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0780    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8483    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3848    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5156    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9792    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5693    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1059    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3891    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9256    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4879    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0245    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6960    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1593    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7067    0.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0672    0.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1552    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6187    0.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2968    3.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5869    1.7684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0037    3.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4485    3.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4771    3.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    2.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    0.8503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 18  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  2  0  0  0  0
 12 38  1  0  0  0  0
 13 17  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006934-3D
FYIcenter.com

 49 48  0     0  0  0  0  0  0999 V2000
   -4.3202    0.8821   -0.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4720   -1.3600   -0.7912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3857   -1.9284    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -3.3648    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -1.8549   -0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972   -3.4834    0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947    3.2004   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    2.5742    0.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9736    2.8789   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853   -0.4326   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.9499    0.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371   -2.6469   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380    1.4081   -1.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505   -0.8455   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.6665    0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0224    2.3930    2.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9869    0.6239   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379   -0.3842   -0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    1.0569   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089   -1.2727   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887   -1.5484    1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518   -3.7425   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -4.0121    0.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407   -2.2160   -1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6617   -3.2145    1.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102   -4.5315    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8928    2.8564   -1.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0260    1.4813    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779    3.2911   -0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2987    3.3853   -1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7641    0.9424   -1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776   -1.0551   -0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946   -1.1233   -1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571   -1.4563    1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4777    2.8249    3.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041    1.3064    2.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837    2.6305    2.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4537    1.0880    0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9607    2.1068   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3258    0.4370    0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8809    0.8115   -1.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 18  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  2  0  0  0  0
 12 38  1  0  0  0  0
 13 17  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1162👍, 0💬