Molecule FYI-1006646

Home > Molecule

A

Molecule Summary:

ID: FYI-1006646
Names:
InChIKey: HBYLLBDNAKCYAI-MDZDMXLPSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)NO

Received at FYIcenter.com on: 2024-01-09

Molecule ID: FYI-1006646 Edit

Molecule Structure InChIKey: HBYLLBDNAKCYAI-MDZDMXLPSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)NO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006646
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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  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  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006646-3D
FYIcenter.com

 68 67  0  0  0  0  0  0  0  0999 V2000
    1.5172    0.8085   -0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    0.8012   -0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5562   -0.2180   -1.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0766   -0.2265   -1.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5901   -1.2467   -2.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1094   -1.2550   -2.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6229   -2.2748   -3.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1433   -2.2776   -3.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6548   -3.2754   -4.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4270   -4.3077   -4.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -5.3089   -5.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4631   -5.3194   -5.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9820   -6.3360   -6.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5002   -6.0011   -7.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0063   -7.0201   -8.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -6.6725   -9.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0104   -7.6929  -10.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5159   -7.3540  -12.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0297   -8.3784  -13.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5306   -8.0370  -14.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0238   -9.0367  -15.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5135   -8.6759  -17.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7966   -7.7064  -17.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9116   -9.5273  -18.1105 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4676   -9.2459  -19.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434    1.5407    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1267   -0.1769   -0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296    1.0680   -1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032    0.5612    0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    1.8003   -0.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832    0.0203   -2.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825   -1.2176   -1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4537   -0.4682   -0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.7705   -1.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2143   -1.0062   -3.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2138   -2.2446   -2.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4853   -1.4957   -1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860   -0.2572   -2.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2413   -2.0339   -4.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2426   -3.2721   -3.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -2.5031   -2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5252   -1.2870   -3.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3790   -3.1474   -5.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7056   -4.4431   -3.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5385   -5.0577   -6.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5576   -6.3037   -4.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8543   -5.5649   -4.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8477   -4.3229   -5.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6412   -7.3409   -5.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0772   -6.3492   -6.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8318   -4.9922   -7.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4068   -6.0063   -7.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6549   -8.0198   -8.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1011   -7.0356   -8.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8399   -5.6675  -10.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4025   -6.6551   -9.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6674   -8.6949  -10.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1069   -7.7079  -10.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8574   -6.3495  -12.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4189   -7.3361  -12.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6869   -9.3791  -13.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1259   -8.3900  -13.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8664   -7.0283  -14.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4346   -8.0152  -14.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6760  -10.0469  -15.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1222   -9.0481  -15.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4976  -10.3444  -17.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9362   -8.4311  -19.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  2  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 19  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 21  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 22  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 67  1  0  0  0  0
 25 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 198👍, 0💬