Molecule FYI-1016293

A

Molecule Summary:

ID: FYI-1016293
Names:
InChIKey: ACIWQIPJDDQLDL-UHFFFAOYSA-N
SMILES: O=C2OCCCCOC(=O)c1ccc(cc1)C(=O)OCCCOC(=O)c3ccc2cc3

Received at FYIcenter.com on: 2025-12-02

Molecule ID: FYI-1016293 Edit

Molecule Structure InChIKey: ACIWQIPJDDQLDL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2OCCCCOC(=O)c1ccc(cc1)C(=O)OCCCOC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016293
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.5593    6.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468    7.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468    8.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5593    9.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7717    8.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7717    7.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875    9.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7703   10.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875    9.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3169   10.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926    9.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7712    9.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5821    8.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9733    8.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3433    6.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7404    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2849    5.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0443    4.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9859    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1680    2.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4086    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4671    4.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996    6.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889    4.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742    4.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    3.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7720    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3731    1.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854    3.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
  2 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016293-3D
FYIcenter.com

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.0940    0.1706    1.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7993    1.1121    1.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172    2.1398    2.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    2.4532    3.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8025    3.8337    2.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497    4.0308    3.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2178    5.2362    2.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917    5.5282    2.8994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607    6.3985    2.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5399    6.5360    2.4681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    7.1633    0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837    7.6074    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799    8.2603   -1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233    8.4702   -1.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064    8.1755   -0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    7.5286    0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789    9.0906   -2.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274   10.0185   -3.1826 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340    8.6170   -3.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9888    7.2711   -3.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    6.8264   -4.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5189    5.4400   -3.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5464    4.7432   -4.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    3.4979   -3.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    2.9336   -4.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612    2.8010   -2.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    1.6892   -2.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0738    1.0581   -0.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612    1.5475   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279    2.5531   -0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    3.1551   -1.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0906    2.4994    4.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    1.6917    3.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4238    7.2013   -2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9365    7.5238   -4.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7210    6.7928   -5.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1345    1.3081   -2.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    0.2159   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890    2.8962   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7444    3.9071   -2.0967 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 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  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
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 12 13  2  0  0  0  0
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 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

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2025-12-09, 676👍, 0💬