Molecule FYI-1001812

Home > Molecule

A

Molecule Summary:

ID: FYI-1001812
SMILES: CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001812 Edit

Molecule Structure SMILES String: CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001812
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    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
   13.3367    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    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  2  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  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 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001812-3D
FYIcenter.com

 72 72  0  0  0  0  0  0  0  0999 V2000
   11.6024    3.4844   -3.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    1.9891   -3.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.7259   -4.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5723    1.5088   -2.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8219    0.0154   -2.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4659   -0.4242   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7351   -1.9143   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3903   -2.4025    0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6638   -3.8923    0.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4264   -4.3844    2.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3890   -5.2485    2.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3166   -5.1666    1.7167 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023   -6.4701    2.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3418   -7.6953    2.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -8.9043    2.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0852   -8.9089    3.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6233   -7.7043    4.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0156   -6.4812    3.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5857   -5.2721    4.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7734   -5.1408    4.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5673   -4.5036    4.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8873   -3.6440    6.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9230   -2.1683    5.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1956   -1.3248    6.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2458    0.1740    6.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5348    0.9558    7.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6063    2.4638    7.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8846    3.2787    8.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2191    2.9102    9.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8680    4.7749    8.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8012    3.8394   -4.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2216    4.0707   -3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5509    3.6925   -3.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2588    1.4532   -4.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0516    2.1881   -3.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5783    2.1299   -5.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5759    0.6545   -4.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5158    1.7225   -2.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1594    2.0792   -1.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8765   -0.2198   -2.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331   -0.5576   -2.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4107   -0.2120   -0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0634    0.1406   -0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7930   -2.1221   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -2.4785   -1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3393   -2.2009    1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9839   -1.8694    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7242   -4.0830    0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0923   -4.4487    0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4725   -7.7011    1.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4995   -9.8437    2.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5654   -9.8495    3.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5183   -7.7186    4.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8272   -3.9365    6.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0941   -3.8037    6.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -1.8770    5.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6957   -1.9948    4.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1477   -1.6386    7.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4161   -1.5203    7.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2931    0.5026    6.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0298    0.3790    5.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4834    0.5980    8.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7564    0.7468    8.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6525    2.7947    7.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3801    2.6741    6.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0840    3.0799    9.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0504    3.0389    8.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2233    1.8732    9.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4116    3.5401   10.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6494    5.0355    7.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0323    5.3697    9.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    5.0718    8.1440 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  4  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  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 46  1  0  0  0  0
  8 47  1  0  0  0  0
  9 10  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  2  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  2  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 2535👍, 0💬