Molecule FYI-1014257

A

Molecule Summary:

ID: FYI-1014257
Names:
InChIKey: ZFLJBJFBYOBFEC-MDZDMXLPSA-N
SMILES: CC2COCC(C)OC(=O)c1ccc(cc1)C(=O)OCC(C)(C)COC(=O)/C=C/C(=O)O2

Received at FYIcenter.com on: 2025-03-17

Molecule ID: FYI-1014257 Edit

Molecule Structure InChIKey: ZFLJBJFBYOBFEC-MDZDMXLPSA-N

Molecule Structure SMILES String: CC2COCC(C)OC(=O)c1ccc(cc1)C(=O)OCC(C)(C)COC(=O)/C=C/C(=O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014257
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.7249    9.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    8.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 31 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014257-3D
FYIcenter.com

 60 61  0  0  1  0  0  0  0  0999 V2000
    6.0462   -2.3063   -2.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270   -1.1820   -1.7543 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4476   -1.1602   -2.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7523   -0.3614   -2.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2461   -0.9652   -3.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1926   -0.9026   -4.6432 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6209   -0.2585   -4.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8056   -2.1970   -5.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4991   -3.2603   -6.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2692   -3.8125   -6.8134 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-04-11, 1279👍, 0💬