Molecule FYI-1001803

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A

Molecule Summary:

ID: FYI-1001803
SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

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

Molecule ID: FYI-1001803 Edit

Molecule Structure SMILES String: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001803
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    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
    4.8498    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
    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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    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  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  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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 20  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001803-3D
FYIcenter.com

 60 60  0  0  1  0  0  0  0  0999 V2000
    5.8862    4.1136    0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4838    2.7195    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3165    2.2582   -1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9095    0.8566   -1.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7503    0.3766   -2.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3536   -1.0463   -3.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1108   -1.5807   -4.1806 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3617   -2.0093   -3.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0020   -1.7403   -2.8845 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458   -2.9079   -4.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3389   -2.7335   -6.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111   -3.5056   -7.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8031   -4.4547   -7.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3039   -4.6426   -5.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8182   -3.8876   -4.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3776   -4.2703   -3.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5351   -4.6361   -3.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3835   -4.4344   -2.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6649   -5.3699   -1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8862   -4.7261   -0.0431 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7190   -3.8042    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3748   -4.5071    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1448   -5.7960    1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3800   -6.6619    0.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120   -7.7010    1.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8271   -8.5586    1.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    4.4211    1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7310    4.8456   -0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9409    4.1420    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189    2.7200   -0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6105    2.0199    0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3793    2.2584   -0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1947    2.9633   -1.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    0.8525   -1.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0260    0.1547   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8127    0.4186   -2.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6246    1.0473   -3.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3054   -1.0522   -3.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4269   -1.7321   -2.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5762   -1.9853   -6.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4078   -3.3655   -8.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1852   -5.0530   -7.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0709   -5.3995   -5.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5152   -6.0009   -1.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8043   -6.0443   -1.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772   -4.0860   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6172   -2.9980   -0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9642   -3.3163    1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1644   -5.1882   -0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5665   -3.7703    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3358   -5.0807    1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696   -6.4496    1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2715   -5.2941    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2627   -6.0183    0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655   -7.1980   -0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7315   -8.3473    1.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7611   -7.2066    2.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6892   -9.0896    0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9933   -9.3028    2.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7284   -7.9420    1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  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
 14 15  2  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 1705👍, 0💬