Molecule FYI-1015841

A

Molecule Summary:

ID: FYI-1015841
Names:
InChIKey: XPASWRLDKXRNJI-UHFFFAOYSA-N
SMILES: O=C2CCCCC(=O)OCCOCCOC(=O)c1ccc(cc1)C(=O)OCCCO2

Received at FYIcenter.com on: 2025-10-20

Molecule ID: FYI-1015841 Edit

Molecule Structure InChIKey: XPASWRLDKXRNJI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCC(=O)OCCOCCOC(=O)c1ccc(cc1)C(=O)OCCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015841
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.6116    6.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1754    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9628    3.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9451    2.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6798    1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5509    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3699    1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7097   15.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2916    7.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8763   15.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9876   14.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5065   13.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6695   12.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3759    3.0080    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
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 25 14  1  0  0  0  0
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 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015841-3D
FYIcenter.com

 56 57  0  0  0  0  0  0  0  0999 V2000
    2.8373   -0.3257    2.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3930   -1.3868    1.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1182   -2.2476    3.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7118   -2.0762    4.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158   -1.3312    5.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6812   -1.2469    6.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5631   -0.3063    7.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1648    0.0151    8.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7906    0.1244    7.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -0.1385    5.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6892    0.5645    5.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778    0.1960    4.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2219    0.1479    2.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3545    0.5736    1.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9405   -0.6886   -1.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0778   -1.3893   -2.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0636   -2.1789   -2.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0646   -2.4326   -0.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9013   -1.7054   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$

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2025-10-24, 574👍, 0💬