Molecule FYI-1017695

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A

Molecule Summary:

ID: FYI-1017695
Names:
InChIKey: QDEIGRSBVHCVHO-UHFFFAOYSA-N
SMILES: CC(C)(CO)COC(=O)CCCCC(=O)OCCCCCCO

Received at FYIcenter.com on: 2026-10-06

Molecule ID: FYI-1017695 Edit

Molecule Structure InChIKey: QDEIGRSBVHCVHO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(CO)COC(=O)CCCCC(=O)OCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1017695
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
    7.7459    2.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0391    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3544    4.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1766    2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3645    3.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    1.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192    2.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3735    1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6983    1.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8204    0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1640    1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1504    0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4777    0.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6949    3.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    2.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    3.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078    4.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5132    2.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5076    1.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017695-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    2.8338   -0.3237    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076   -0.7595   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -2.2980   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8680   -0.2488   -0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7965    1.1707   -0.8128 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089   -0.1733   -1.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859   -0.5541   -1.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0690   -1.5123   -2.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101   -2.1449   -3.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5536   -1.6665   -2.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2080   -2.5797   -3.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7315   -2.4281   -3.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3890   -3.3548   -4.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115   -2.8085   -4.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4743   -2.1184   -4.0898 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177   -3.1935   -6.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0056   -2.5549   -6.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211   -3.2947   -6.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4434   -2.6574   -7.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7697   -3.4035   -7.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8668   -2.7576   -8.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1919   -3.4990   -7.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1774   -2.8555   -8.6835 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9811   -2.6556   -1.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5003   -0.5477   -1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533    1.4287    0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1983    0.9222   -1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364   -0.4416   -2.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7047   -2.0724   -1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0019   -0.6679   -2.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9292   -3.6201   -3.0343 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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  2  6  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
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 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
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 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END
$$$$

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2026-10-17, 194👍, 0💬