Molecule FYI-1013555

A

Molecule Summary:

ID: FYI-1013555
Names:
InChIKey: NFFNGYZBZAPKKE-UHFFFAOYSA-N
SMILES: O=C2OCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c3ccc2cc3

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

Molecule ID: FYI-1013555 Edit

Molecule Structure InChIKey: NFFNGYZBZAPKKE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2OCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013555
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.1592    1.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3277    2.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2388    1.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691    3.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186    4.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919    6.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9845    7.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    8.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    9.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6099    9.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0733    6.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526    8.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5655    7.9783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4442    7.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7437    8.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4517    5.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2314    4.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9967    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9822    2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3004    0.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2023    3.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4371    4.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3847    9.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0180    1.1530    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  7  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
 10 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
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 22 21  2  0  0  0  0
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 25 17  1  0  0  0  0
 16 26  1  0  0  0  0
 13 26  1  0  0  0  0
  1 27  1  0  0  0  0
 23 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013555-3D
FYIcenter.com

 44 46  0     0  0  0  0  0  0999 V2000
   -3.5003   -1.3502    0.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5049    1.3492   -0.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5003   -1.3334   -0.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060    1.3661    0.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0629   -2.1372   -2.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0631    2.1415    2.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0688   -2.1582    2.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    2.1126   -2.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358   -2.0091   -0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396    2.0104    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399   -2.0105    0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3354    2.0071   -0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -0.6880   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189    0.6834    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7150   -0.6725    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230    0.6989   -0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0257   -2.0382    0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088   -2.0403    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3067    2.0364    1.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272    2.0336    0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3045   -2.0257   -1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -2.0249   -0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0316    2.0282   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3023    2.0277   -1.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7274    1.8814   -0.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7667   -0.5711   -1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5689   -1.2864    0.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5686   -1.2715    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8046    2.0279    1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196   -2.0027   -2.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5151    2.0068   -2.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  1  0  0  0  0
  3 27  1  0  0  0  0
  4 16  1  0  0  0  0
  4 28  1  0  0  0  0
  5 25  2  0  0  0  0
  6 26  2  0  0  0  0
  7 27  2  0  0  0  0
  8 28  2  0  0  0  0
  9 17  2  0  0  0  0
  9 21  1  0  0  0  0
  9 25  1  0  0  0  0
 10 19  2  0  0  0  0
 10 23  1  0  0  0  0
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 11 18  2  0  0  0  0
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 12 20  2  0  0  0  0
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 13 29  1  0  0  0  0
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 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$

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