Molecule FYI-1003688

A

Molecule Summary:

ID: FYI-1003688
Names:
InChIKey: UKSWTFQUQNOKOF-FPLPWBNLSA-N
SMILES: CCCCCC/C=C\\CCCCCCCCCC(=O)NCCc1ccccc1

Received at FYIcenter.com on: 2023-07-18

Molecule ID: FYI-1003688 Edit

Molecule Structure InChIKey: UKSWTFQUQNOKOF-FPLPWBNLSA-N

Molecule Structure SMILES String: CCCCCC/C=C\CCCCCCCCCC(=O)NCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003688
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   24.2487    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   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
    3.6373    2.8000    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2125    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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  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
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003688-3D
FYIcenter.com

 71 71  0  0  0  0  0  0  0  0999 V2000
    4.2980   -9.2696   -4.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810   -8.1706   -5.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631   -7.8349   -3.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1518   -6.7320   -4.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320   -6.4010   -3.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.2975   -3.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9410   -4.9297   -2.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8804   -3.9845   -2.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0749   -3.1660   -3.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8933   -1.6670   -3.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8799   -1.0745   -2.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3261   -1.3178   -2.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3072   -0.8004   -1.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7317   -1.0731   -2.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7458   -0.5735   -1.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1561   -0.8342   -1.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2196   -0.3404   -0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6010   -0.6137   -1.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7961   -1.1488   -2.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6161   -0.2035   -0.5649 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0034   -0.4192   -0.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9655    0.0924    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3957   -0.1117   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0396    0.8418   -1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3718    0.6625   -1.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0682   -0.4752   -1.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4264   -1.4416   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0946   -1.2642    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6650   -9.5088   -5.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506   -8.9592   -3.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266  -10.1810   -4.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314   -7.2786   -5.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004   -8.4929   -5.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118   -8.7288   -3.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5410   -7.5149   -3.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6093   -5.8336   -4.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7786   -7.0474   -5.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829   -7.2931   -2.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109   -6.0775   -2.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4262   -4.4093   -3.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5862   -5.6310   -4.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8683   -5.4621   -1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5523   -3.7944   -1.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3735   -3.4519   -4.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0640   -3.3860   -4.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8712   -1.4751   -3.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9993   -1.1400   -4.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7006   -1.4927   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6972    0.0035   -2.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5106   -0.8379   -3.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5175   -2.3872   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1294   -1.3055   -0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1574    0.2726   -1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9018   -0.5819   -3.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8699   -2.1498   -2.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5900   -1.0846   -0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6006    0.4992   -1.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2926   -0.3396   -2.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2894   -1.9098   -1.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1147   -0.8543    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1094    0.7364   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3836    0.1862    0.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1642    0.0849   -1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1379   -1.4932   -1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7795   -0.4133    1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7881    1.1585    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5080    1.7333   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8676    1.4129   -2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1072   -0.6100   -1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9642   -2.3341    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6051   -2.0292    0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  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
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  2  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 67  1  0  0  0  0
 25 26  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  2  0  0  0  0
 26 69  1  0  0  0  0
 27 28  1  0  0  0  0
 27 70  1  0  0  0  0
 28 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1128👍, 0💬