Molecule FYI-1011429

A

Molecule Summary:

ID: FYI-1011429
Names:
InChIKey: ICOJKTCYWYPCEW-UHFFFAOYSA-N
SMILES: O=C3OCCCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c4ccc3cc4

Received at FYIcenter.com on: 2024-08-08

Molecule ID: FYI-1011429 Edit

Molecule Structure InChIKey: ICOJKTCYWYPCEW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C3OCCCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c4ccc3cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1011429
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    8.4984    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2844    3.5047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    5.6076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8563    3.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    3.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8563    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6914    5.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1378    7.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   26.7097    6.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9254    5.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  1 14  1  0  0  0  0
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 28 27  1  0  0  0  0
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 32 31  1  0  0  0  0
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 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
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 40 21  1  0  0  0  0
 41 40  2  0  0  0  0
 41 18  1  0  0  0  0
 37 42  1  0  0  0  0
 14 42  1  0  0  0  0
 11 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011429-3D
FYIcenter.com

 72 75  0  0  0  0  0  0  0  0999 V2000
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    7.2052    9.8267    3.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7031   10.9831    4.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2684   17.0922    3.6692 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-08-14, 1179👍, 0💬