Molecule Editor

Molecule ID: FYI-1012122 Edit

Molecule Structure InChIKey: HQEKHFMMNLLASU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(C)CCCCCC(C)CCCCCCCCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012122
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   32.7358    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    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
   16.9741    0.0000    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
    1.2124    2.1000    0.0000 C   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  8  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 15  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  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  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
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012122-3D
FYIcenter.com

 90 89  0  0  1  0  0  0  0  0999 V2000
    0.8316   -0.3561   -0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475   -0.3545   -0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -1.4763    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3831   -1.4686    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9126   -2.5877    1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4331   -2.5274    1.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0093   -3.6096    2.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454   -3.5792    2.1634 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0757   -2.2432    2.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0336   -4.7728    3.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5505   -4.8313    3.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0479   -6.0144    3.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5683   -5.9291    3.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1385   -7.0660    4.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6760   -7.0708    4.8002 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.2447   -5.7993    5.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2019   -8.3018    5.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7879   -9.6024    4.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2977  -10.8205    5.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8073  -12.0757    4.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2751  -13.3233    5.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7854  -14.5677    4.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -15.8163    5.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7927  -17.0700    4.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2869  -18.3121    5.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8207  -19.5772    4.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3173  -20.8163    5.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8571  -22.0885    4.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3501  -23.3276    5.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9087  -24.4937    5.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4760    0.4493   -1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009   -0.2103    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589   -1.3062   -1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    0.6145   -0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -0.4714   -1.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -2.4446   -0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4584   -1.3562    1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336   -0.5001    0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909   -1.5839   -0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5853   -3.5624    0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -2.4789    2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7219   -1.5357    1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8426   -2.6386    0.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6789   -4.5908    1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6058   -3.4990    3.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254   -3.7040    1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7485   -2.0783    3.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7442   -1.3974    2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1684   -2.2003    2.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6567   -5.7059    2.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200   -4.7125    4.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399   -3.9235    3.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9635   -4.8766    2.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7328   -6.9563    3.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6237   -5.9849    4.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8506   -4.9616    4.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9861   -5.9634    2.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7592   -7.9913    4.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7456   -7.0235    5.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0431   -7.1177    3.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8742   -5.6709    6.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9783   -4.9069    4.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3380   -5.8383    5.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8341   -8.2897    6.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2972   -8.2599    5.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1598   -9.6118    3.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6977   -9.6850    4.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9262  -10.8069    6.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3932  -10.8083    5.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1758  -12.0852    3.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110  -12.0693    4.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8938  -13.3186    6.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3701  -13.3301    5.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1567  -14.5660    3.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6899  -14.5638    4.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8910  -15.8161    6.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3618  -15.8122    5.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1659  -17.0682    3.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6970  -17.0777    4.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149  -18.3067    6.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3825  -18.2982    5.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1953  -19.5819    3.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7253  -19.5885    4.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9423  -20.8041    6.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4123  -20.7976    5.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2198  -22.1068    3.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7620  -22.1104    4.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9726  -23.3589    6.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4438  -23.3481    5.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9373  -24.4628    4.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 46  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 60  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 16 63  1  0  0  0  0
 17 18  1  0  0  0  0
 17 64  1  0  0  0  0
 17 65  1  0  0  0  0
 18 19  1  0  0  0  0
 18 66  1  0  0  0  0
 18 67  1  0  0  0  0
 19 20  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 20 21  1  0  0  0  0
 20 70  1  0  0  0  0
 20 71  1  0  0  0  0
 21 22  1  0  0  0  0
 21 72  1  0  0  0  0
 21 73  1  0  0  0  0
 22 23  1  0  0  0  0
 22 74  1  0  0  0  0
 22 75  1  0  0  0  0
 23 24  1  0  0  0  0
 23 76  1  0  0  0  0
 23 77  1  0  0  0  0
 24 25  1  0  0  0  0
 24 78  1  0  0  0  0
 24 79  1  0  0  0  0
 25 26  1  0  0  0  0
 25 80  1  0  0  0  0
 25 81  1  0  0  0  0
 26 27  1  0  0  0  0
 26 82  1  0  0  0  0
 26 83  1  0  0  0  0
 27 28  1  0  0  0  0
 27 84  1  0  0  0  0
 27 85  1  0  0  0  0
 28 29  1  0  0  0  0
 28 86  1  0  0  0  0
 28 87  1  0  0  0  0
 29 30  1  0  0  0  0
 29 88  1  0  0  0  0
 29 89  1  0  0  0  0
 30 90  1  0  0  0  0
M  END
$$$$