Molecule FYI-1006668

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A

Molecule Summary:

ID: FYI-1006668
Names:
InChIKey: BNJRHNHQYFVXTP-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCOC(=O)CCCCCCCCCC

Received at FYIcenter.com on: 2024-01-10

Molecule ID: FYI-1006668 Edit

Molecule Structure InChIKey: BNJRHNHQYFVXTP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCOC(=O)CCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006668
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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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  9  8  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006668-3D
FYIcenter.com

 68 67  0  0  0  0  0  0  0  0999 V2000
   11.0378   -8.0629   -9.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5626   -6.6635   -9.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0752   -5.6407   -8.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5988   -4.2349   -8.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1161   -3.2205   -7.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6391   -1.8157   -8.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1553   -0.8055   -7.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6793    0.5988   -7.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1988    1.6134   -6.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6983    3.0090   -6.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2041    4.0654   -5.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6336    4.1627   -5.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2234    4.7740   -6.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6986    4.9832   -7.9726 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5721    5.3185   -6.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    6.8433   -6.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4931    7.4714   -5.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4638    8.9888   -5.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3944    9.5993   -4.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3674   11.1175   -5.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3057   11.7360   -4.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2886   13.2552   -4.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5828    0.6233   -7.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8661    3.8231   -4.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5393    7.2363   -6.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6988    7.1984   -4.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1633   11.3843   -6.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5083   11.4670   -3.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198   11.3281   -4.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
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 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
$$$$

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2024-10-14, 2062👍, 0💬