Molecule FYI-1013290

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A

Molecule Summary:

ID: FYI-1013290
Names:
InChIKey: NQVSWISZIZGKSX-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC(CCCCCCCCCC)OC(C)=O

Received at FYIcenter.com on: 2024-12-04

Molecule ID: FYI-1013290 Edit

Molecule Structure InChIKey: NQVSWISZIZGKSX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(CCCCCCCCCC)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013290
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   25.4611    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 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
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013290-3D
FYIcenter.com

 74 73  0  0  1  0  0  0  0  0999 V2000
   10.9005  -11.3364   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5591  -10.6708    0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8310   -9.1713    0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4954   -8.4782    2.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7831   -6.9829    2.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4623   -6.2570    3.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7581   -4.7629    3.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4527   -4.0451    4.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495   -2.5505    4.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3689   -1.8029    5.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1098   -2.2468    7.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6418   -2.1412    6.9696 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1296   -0.6991    6.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6601   -0.5862    6.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2974   -1.2489    5.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7647   -0.7468    4.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9862    0.7524    3.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3859    1.2822    2.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6409    2.7846    2.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0480    3.3702    1.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3273    4.8684    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7505    5.4604   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1508   -2.5716    8.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8870   -8.9999    0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2932   -1.9343    5.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8309   -3.2800    7.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0407   -2.7779    6.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9339    0.4736    6.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8 42  1  0  0  0  0
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  9 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 18 62  1  0  0  0  0
 19 20  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 22 69  1  0  0  0  0
 22 70  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 26  2  0  0  0  0
 25 72  1  0  0  0  0
 25 73  1  0  0  0  0
 25 74  1  0  0  0  0
M  END
$$$$

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2024-12-18, 753👍, 0💬