Molecule FYI-1007934

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A

Molecule Summary:

ID: FYI-1007934
Names:
InChIKey: UJPPXNXOEVDSRW-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC(=O)OC(C)C

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007934 Edit

Molecule Structure InChIKey: UJPPXNXOEVDSRW-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007934
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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    0.0000    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  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007934-3D
FYIcenter.com

 47 46  0     0  0  0  0  0  0999 V2000
   -5.4793   -0.5506   -0.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4544    1.5133   -0.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -0.4641    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715    0.4203    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    0.3677   -0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4804   -0.3688    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7706    0.4537    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5987   -0.5103   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0407   -0.3994    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698    0.3292   -0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3274    0.4303    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411   -0.5173   -0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5940   -0.4082    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4075    0.2964   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7048   -0.0019    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8030   -1.0486   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5032    0.4582    1.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969   -1.2123   -0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8692   -1.0089    0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194    1.1359    0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    1.0100   -0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918    1.1313    0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028    0.8943   -1.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4823   -0.9253    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4947   -1.1210   -0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7626    1.0349   -0.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7870    1.1767    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498   -1.2618   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386   -1.0508    0.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0493   -1.0828   -0.7852 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0204   -1.0239    0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8360    0.8644   -1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051    1.0961    0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3618    1.0440   -0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3131    1.1225    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1196   -1.2630   -1.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1876   -1.0368    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6123   -1.0060    1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4783    0.2366    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -1.0881   -0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9879    0.8525   -0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7636   -0.6589    0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9152   -1.3742   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5517   -1.9413    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4521    0.7773    1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8109    1.3016    1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0889   -0.3491    2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 142👍, 0💬