Molecule FYI-1001805

Home > Molecule

A

Molecule Summary:

ID: FYI-1001805
SMILES: CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC

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

Molecule ID: FYI-1001805 Edit

Molecule Structure SMILES String: CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001805
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   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
    2.4249    4.9000    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
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  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 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001805-3D
FYIcenter.com

 78 78  0  0  1  0  0  0  0  0999 V2000
    3.7201   -2.4442    1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520   -0.9838    1.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8658   -0.7730    3.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9256    0.7099    3.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9398    0.9852    4.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944    2.4886    4.8666 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7684    3.1242    5.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8581    4.6360    5.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5275    5.2172    6.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2084    2.6535    5.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    2.2085    5.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    3.1628    4.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6852    4.1041    4.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6380    2.9628    4.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3162    3.2202    3.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7117    3.2260    3.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4452    2.9855    4.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7862    2.7082    5.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3786    2.6759    5.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7632    2.4526    7.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7425    2.9744    7.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5615    1.5995    8.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1756    1.3129    9.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2989    0.0478    9.4257 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0892   -1.1617    8.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3162   -2.4827    8.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0492   -2.3922    7.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7892   -0.2347   10.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8919    0.8720   11.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3430    0.4948   12.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4617    1.6101   13.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9279    1.2591   14.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -2.5447    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3712   -3.0518    2.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6754   -2.8476    1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697   -0.6111    2.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1538   -0.4010    1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558   -1.1184    2.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5801   -1.3699    3.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9253    1.0183    3.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1861    1.3043    2.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9140    0.5917    4.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541    0.4281    5.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    3.0009    3.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4394    2.6173    6.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803    2.9674    4.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1776    5.1473    4.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5969    4.8614    6.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    5.0381    5.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190    6.2986    6.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    4.7767    7.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9648    2.0716    6.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3026    3.6925    6.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7499    3.4541    2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2181    3.4498    2.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5315    3.0341    4.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3888    2.5515    6.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6827    2.1862    9.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0980    1.1577    9.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4372    0.2218    8.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9812   -1.3272    9.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4570   -0.9223    7.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0701   -2.8490    9.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9741   -3.2399    8.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3247   -1.6984    8.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5676   -3.3730    7.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2765   -2.0607    6.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6407   -0.3950   11.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054   -1.1617   10.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0607    1.0528   10.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4508    1.8082   11.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1768    0.3041   13.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7647   -0.4344   12.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6207    1.7930   12.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0362    2.5417   13.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3192    0.3501   14.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040    2.0728   15.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7476    1.0971   15.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  2  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  2  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 60  1  0  0  0  0
 25 26  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 27  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 29  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 30  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 31  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 31 32  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
 32 76  1  0  0  0  0
 32 77  1  0  0  0  0
 32 78  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 1587👍, 0💬