Molecule FYI-1015882

A

Molecule Summary:

ID: FYI-1015882
Names:
InChIKey: QLFMYHUFPCDGKN-UHFFFAOYSA-N
SMILES: CC2(C)COC(=O)CCCCC(=O)OCCCCOC(=O)c1ccccc1C(=O)OC2

Received at FYIcenter.com on: 2025-10-28

Molecule ID: FYI-1015882 Edit

Molecule Structure InChIKey: QLFMYHUFPCDGKN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C)COC(=O)CCCCC(=O)OCCCCOC(=O)c1ccccc1C(=O)OC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015882
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.9373    7.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    7.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    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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 15  2  1  0  0  0  0
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 23 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25 14  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 17 31  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015882-3D
FYIcenter.com

 61 62  0  0  0  0  0  0  0  0999 V2000
    1.3206    0.8312   -1.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7567    1.0253   -1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9470    2.4189   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7249    1.0250   -2.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4494    0.1362   -3.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0181    0.5262   -4.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3551    0.9806   -5.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    0.1868   -4.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4885    1.3887   -5.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1634    1.5066   -3.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2772    2.4350   -3.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7310    2.3649   -1.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5347    3.2179   -1.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3480    1.4030   -0.8827 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3449    0.4111   -1.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0222   -0.5758   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0467   -1.6411   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2204   -2.5951    2.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 61  1  0  0  0  0
M  END
$$$$

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2025-11-06, 476👍, 0💬