Molecule FYI-1003880

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A

Molecule Summary:

ID: FYI-1003880
Names:
InChIKey: QZWDJVHFLJABLA-UHFFFAOYSA-N
SMILES: C=C(O)COC(=O)CCCCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2023-08-03

Molecule ID: FYI-1003880 Edit

Molecule Structure InChIKey: QZWDJVHFLJABLA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(O)COC(=O)CCCCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003880
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   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
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    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
   13.3368    2.1000    0.0000 C   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
    4.8497    0.0000    0.0000 O   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    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003880-3D
FYIcenter.com

 64 63  0  0  0  0  0  0  0  0999 V2000
    1.8081   -1.7124   -1.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901   -1.0054   -0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001   -1.4067    0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    0.3082   -1.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5762    0.2661   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    0.4864   -2.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    0.7083   -3.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8226    0.4296   -1.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6407    0.6748   -3.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1407    0.6249   -2.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9095    0.8754   -4.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4060    0.8269   -3.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1708    1.0747   -5.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6641    1.0231   -4.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4276    1.2726   -6.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9199    1.2209   -5.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6828    1.4704   -7.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1750    1.4186   -6.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9380    1.6682   -8.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4309    1.6186   -7.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1948    1.8663   -9.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6894    1.8151   -8.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4618    2.0605  -10.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9523    2.0088   -9.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9344    0.5469   -2.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0739   -0.5563   -1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0741    1.1952   -1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3801    1.6531   -3.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3797   -0.0759   -3.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4194   -0.3544   -2.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4194    1.3811   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6393    1.8544   -4.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6413    0.1208   -4.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6819   -0.1513   -3.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6802    1.5839   -3.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9002    2.0540   -5.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8999    0.3191   -5.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9370    0.0435   -4.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9370    1.7780   -4.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1559    2.2524   -6.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1559    0.5178   -6.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1921    0.2412   -5.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1921    1.9758   -5.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4107    2.4501   -7.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4469    0.4389   -6.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4468    2.1734   -6.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6643    2.6472   -8.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6664    0.9123   -8.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7030    0.6399   -7.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7014    2.3751   -7.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9210    2.8453   -9.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9206    1.1102   -9.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9580    0.8365   -8.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9588    2.5710   -8.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1942    3.0393  -10.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1933    1.3039  -10.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2396    2.7725   -9.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5083    2.1850  -10.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2387    1.0297   -9.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
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 10 34  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1855👍, 0💬