Molecule FYI-1007071

A

Molecule Summary:

ID: FYI-1007071
Names:
InChIKey: ZQWWRPIWOWHPFY-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)OCCOCCOC(=O)CCCCC(=O)OCCCCO

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007071 Edit

Molecule Structure InChIKey: ZQWWRPIWOWHPFY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCOCCOC(=O)CCCCC(=O)OCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007071
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   30.3109    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   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
   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 O   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
   13.3368    3.5000    0.0000 O   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
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   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  2  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  2  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 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  2  0  0  0  0
 25 23  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-1007071-3D
FYIcenter.com

 64 63  0  0  0  0  0  0  0  0999 V2000
   12.1435    0.9580    2.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5060    1.8445    3.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8261    2.3467    4.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2879    2.4952    2.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6453    3.5899    1.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3933    4.2533    1.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5078    4.9509    2.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2416    6.0818    2.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6234    7.0924    2.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4657    5.7864    4.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2022    6.7836    4.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    6.6490    4.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1795    5.3684    5.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6133    5.3037    4.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1537    4.0265    5.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5620    3.9106    5.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3503    4.4874    6.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9578    5.1211    7.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7963    4.2648    5.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1380    4.8294    4.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7966    6.3129    4.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5043    7.2050    5.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2921    8.6718    5.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6151    9.1425    4.1756 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8076   10.4388    5.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3127   11.8172    5.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1928   12.8803    5.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7696   14.2949    5.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6295   15.2223    4.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6852    2.8841    3.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871    1.7128    2.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2345    3.1600    0.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1316    4.2458    2.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188    5.3724    1.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718    6.6243    5.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    7.7883    4.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2209    7.4467    5.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0684    6.1694    5.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8788    5.3395    3.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7430    3.1506    5.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7127    6.4677    4.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3382   11.9131    6.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2646   11.9434    5.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1755   12.7628    3.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 30 64  1  0  0  0  0
M  END
$$$$

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