Molecule FYI-1012626

A

Molecule Summary:

ID: FYI-1012626
Names:
InChIKey: QZCLKYGREBVARF-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC

Received at FYIcenter.com on: 2024-10-02

Molecule ID: FYI-1012626 Edit

Molecule Structure InChIKey: QZCLKYGREBVARF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012626
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   13.4919    7.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4919    6.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    5.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    3.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    1.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8123    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5857    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2265    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5857    3.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    5.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3022    3.8516    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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  7  6  2  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 25  9  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012626-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    1.8710    8.9623   -0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    7.6691   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278    6.9890    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    5.6537    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9657    5.7399   -0.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1598    5.3966   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5407    5.7798    0.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8568    4.3455   -1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4049    4.3766   -1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    4.1446    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6467    2.8660    1.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9147    2.0219    0.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1646    2.8182    2.2787 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451    1.9745    3.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2363    0.7395    3.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104   -0.0987    4.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1470   -1.3459    5.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4800    2.2810   -4.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9530    5.7493   -1.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1447    6.0360   -1.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9325    6.9957   -1.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1573    4.1034    0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
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  3 34  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 51  1  0  0  0  0
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 22 23  2  0  0  0  0
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 26 27  1  0  0  0  0
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 28 62  1  0  0  0  0
M  END
$$$$

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2024-10-14, 895👍, 0💬