Molecule FYI-1013657

A

Molecule Summary:

ID: FYI-1013657
Names:
InChIKey: YIQABMDLPNFSIN-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(C(=O)OCCCCO)cc1)cc2

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013657 Edit

Molecule Structure InChIKey: YIQABMDLPNFSIN-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013657
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    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
  3  7  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013657-3D
FYIcenter.com

 60 61  0  0  0  0  0  0  0  0999 V2000
    4.3179    2.2365    2.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8557    2.6834    1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758    2.1709   -0.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8027    3.8240    1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6149    3.9793    2.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4963    5.0633    2.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5659    6.0079    1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4996    7.1597    1.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2016    7.3375    2.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434    7.9589    0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2776    9.1322    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6573   10.2426    1.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4065   10.6627    0.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8263   11.7133    1.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5102   12.1744    0.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090   13.2327    1.7064 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4016   14.4806    1.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3363   14.7688    0.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9876   16.8438    2.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   17.8203    2.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1697   17.4452    3.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   18.4808    4.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540   19.6556    4.5254 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 1138👍, 0💬