Molecule FYI-1012667

A

Molecule Summary:

ID: FYI-1012667
Names:
InChIKey: PURREIVSOLRGFM-UHFFFAOYSA-N
SMILES: O=C1CCCCCCC(=O)OCCOC(=O)CCCCC(=O)OCCO1

Received at FYIcenter.com on: 2024-10-07

Molecule ID: FYI-1012667 Edit

Molecule Structure InChIKey: PURREIVSOLRGFM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCC(=O)OCCOC(=O)CCCCC(=O)OCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012667
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
   10.9120    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   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 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
    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
    4.8498    2.1000    0.0000 C   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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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  2  0  0  0  0
  7  5  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  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
 25  1  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012667-3D
FYIcenter.com

 54 54  0  0  0  0  0  0  0  0999 V2000
   -0.5815    0.7631    6.8377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753    1.1739    6.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    2.0065    8.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1713    2.2222   10.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    3.0554   11.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    3.2222   12.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5461    3.0783   12.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0285    3.1317   12.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8395    2.8252   11.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0749    2.8672   11.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2284    2.4732    9.9827 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8314    2.4090    9.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4924    2.0217    8.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1148    2.1947    8.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8529    2.9276    7.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    3.8744    7.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3604    2.1787    6.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    1.9940    6.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1851    1.4499    4.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6409    1.3003    4.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7445    0.8504    3.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    0.7796    3.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5253    0.5784    2.8944 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8395    0.4515    3.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614    0.8080    4.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758    0.7735    5.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0141    1.2661    9.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730    2.9145    8.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    1.4618   11.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331    3.0693   10.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181    4.0584   11.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    2.4682   12.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2885    2.5195   13.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007    4.2231   13.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793    3.8955   11.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3927    2.0249   11.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3263    2.3850   13.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3207    4.1382   12.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    3.3919    9.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3775    1.5631   10.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276    0.9880    8.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0259    2.8174    8.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550    2.6514    5.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594    1.1358    6.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1062    1.1287    6.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3735    2.9107    6.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8217    2.1601    4.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    0.4273    4.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9896    0.5536    5.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1179    2.2652    5.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6615    1.1353    2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.5593    2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263   -0.0734    3.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    1.6506    3.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END
$$$$

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