Molecule FYI-1013554

A

Molecule Summary:

ID: FYI-1013554
Names:
InChIKey: ZEFTZDWGNHTKBB-UHFFFAOYSA-N
SMILES: O=C(OCCO)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2

Received at FYIcenter.com on: 2025-01-07

Molecule ID: FYI-1013554 Edit

Molecule Structure InChIKey: ZEFTZDWGNHTKBB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCO)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013554
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1864    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   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
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 20 21  2  0  0  0  0
 19 26  2  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013554-3D
FYIcenter.com

 61 62  0  0  0  0  0  0  0  0999 V2000
   -0.3831    3.1378    1.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492    2.6772    0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    1.3659    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2484    0.4320    1.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5882    0.3854    2.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6318    0.0052    1.1639 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259    3.5029   -0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064    4.8808   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    5.6926   -1.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3507    5.1356   -2.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    6.0307   -3.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    7.2352   -3.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    5.2906   -4.7877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156    6.0454   -5.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2011    6.3537   -5.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7435    7.1465   -6.7704 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1567    8.4401   -6.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2620    9.3196   -5.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   10.5632   -5.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   11.5078   -6.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4164   11.3918   -6.9781 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506   12.7269   -6.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932   13.8172   -7.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9214   15.0409   -7.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
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  5 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  2  0  0  0  0
  8  9  2  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  2  0  0  0  0
 11 12  2  0  0  0  0
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 15 16  1  0  0  0  0
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 35 61  1  0  0  0  0
M  END
$$$$

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2025-02-16, 710👍, 0💬