Molecule FYI-1016260

A

Molecule Summary:

ID: FYI-1016260
Names:
InChIKey: QHATYOWJCAQINT-JPFHKJGASA-N
SMILES: CCCCC/C=C\\C\\C=C/C/C=C\\CCCCCCC(=O)OC

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016260 Edit

Molecule Structure InChIKey: QHATYOWJCAQINT-JPFHKJGASA-N

Molecule Structure SMILES String: CCCCC/C=C\C\C=C/C/C=C\CCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016260
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    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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 10  9  2  0  0  0  0
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 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016260-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
   10.3006    6.2841   15.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3161    4.9879   14.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5206    5.1228   13.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5384    3.8157   12.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7387    3.9660   11.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    2.7069   10.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917    2.6106    9.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238    3.7484    8.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8099    4.1946    7.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9907    4.7523    6.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5191    4.9466    6.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2063    5.8538    7.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5015    6.9812    7.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665    7.4575    6.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067    8.7722    6.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825    9.2145    4.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9196   10.5314    5.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012   10.9627    3.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308   12.2782    3.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1367   12.6654    2.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226   12.0272    1.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5512   13.8430    2.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4844    5.4024   13.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1127    3.0084   12.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    3.5378   12.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1728    4.7812   10.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7088    4.2462   11.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.8373   10.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058    1.6709    8.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3679    4.6102    9.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750    3.4397    8.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8684    4.0891    6.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3882    5.0563    5.2802 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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  3 29  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
$$$$

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2025-12-09, 921👍, 0💬