Molecule FYI-1001079

Home > Molecule

A

Molecule Summary:

ID: FYI-1001079
SMILES: C(C(=C)C)(=O)OCCCCCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2021-12-01

Molecule ID: FYI-1001079 Edit

Molecule Structure SMILES String: C(C(=C)C)(=O)OCCCCCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001079
FYIcenter.com

 66 65  0  0  0  0  0  0  0  0999 V2000
   -9.6180    0.3356   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8650   -0.4420    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0394    0.1838    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8137   -1.9482   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6594    1.5502    0.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4284   -0.2983    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2382    0.5334   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9939   -0.3568    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398    0.5197   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4955   -0.3706    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    0.5059   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970   -0.3843    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571    0.4921   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014   -0.3981    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7555    0.4783   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999   -0.4119    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2540    0.4646   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983   -0.4257    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7524    0.4508   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9968   -0.4394    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2508    0.4370   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4952   -0.4532    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7493    0.4232   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9936   -0.4670    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9558   -0.3877    0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0762    1.2632    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7743   -2.2763   -0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3127   -2.3305    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3171   -2.3270   -0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2347    1.1609   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2348    1.1646    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9974   -0.9842    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9973   -0.9880   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    1.1471   -0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7364    1.1508    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4989   -0.9980    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4989   -1.0017   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    1.1333   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    1.1371    0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005   -1.0118    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005   -1.0155   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    1.1195   -0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2605    1.1233    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979   -1.0255    0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -1.0293   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7590    1.1057   -0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7590    1.1095    0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964   -1.0393    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964   -1.0431   -0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575    1.0920   -0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2574    1.0957    0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948   -1.0531    0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4949   -1.0568   -0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7559    1.0782   -0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7558    1.0820    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9933   -1.0669    0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9933   -1.0706   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2543    1.0644   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2543    1.0682    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -1.0806    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4918   -1.0844   -0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7528    1.0506   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7527    1.0544    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9901   -1.0944    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9902   -1.0982   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8871    0.1574   -0.0001 H   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
  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001079-3D
FYIcenter.com

 66 65  0  0  0  0  0  0  0  0999 V2000
    2.5013   -2.5871   -0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -3.9589   -0.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497   -4.7664    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6365   -4.5451   -2.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7472   -1.8800   -1.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -2.2100    0.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2404   -0.8601    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481   -0.7200    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790   -1.6528    1.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9697   -1.4638    1.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7306   -2.3923    2.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2224   -2.1973    2.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9854   -3.1270    3.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4768   -2.9340    2.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2396   -3.8653    3.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7311   -3.6723    3.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4940   -4.6036    4.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9855   -4.4106    4.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7484   -5.3419    5.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2402   -5.1505    5.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0034   -6.0836    5.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4959   -5.8920    5.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2642   -6.8235    6.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7524   -6.6294    6.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8245   -4.4438    1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -5.7714   -0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548   -3.9182   -3.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600   -4.7743   -2.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377   -5.4562   -2.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298   -0.6079    1.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8065   -0.1331    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0160    0.3265    0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0219   -0.9245   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2038   -2.6944    1.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1998   -1.4437    2.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2399   -0.4231    1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2413   -1.6705    0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4613   -3.4335    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4583   -2.1858    3.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4921   -1.1560    2.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4947   -2.4018    1.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144   -4.1681    2.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139   -2.9214    4.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7478   -1.8932    3.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7478   -3.1382    1.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9685   -4.9060    3.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9685   -3.6611    4.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0022   -2.6316    3.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0022   -3.8765    2.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2229   -5.6443    4.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2229   -4.3994    5.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2566   -3.3699    4.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2566   -4.6148    3.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4763   -6.3825    5.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4784   -5.1367    6.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5123   -4.1100    5.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5098   -5.3541    3.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7314   -7.1236    5.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7319   -5.8803    7.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7654   -4.8502    5.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7654   -6.0947    4.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9967   -7.8643    6.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9967   -6.6190    7.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0355   -6.8460    5.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3078   -7.2980    7.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0355   -5.5969    6.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 630👍, 0💬