Molecule FYI-1014388

A

Molecule Summary:

ID: FYI-1014388
Names:
InChIKey: NSEQBTFVEJAJNC-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCCC(=O)OCCCCCC(=O)OCCCOCC

Received at FYIcenter.com on: 2025-04-11

Molecule ID: FYI-1014388 Edit

Molecule Structure InChIKey: NSEQBTFVEJAJNC-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCCC(=O)OCCCCCC(=O)OCCCOCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014388
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4001    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
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5001    0.0000 O   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
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   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
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.0999    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 17 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014388-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    6.5288    4.4693   -1.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7268    3.6608   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    4.1991    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    2.1766   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9945    1.4234    0.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5349    1.7733   -1.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6060    0.3631   -1.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371   -0.1490   -2.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7717    0.4194   -3.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1987   -0.2607   -4.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9361    1.7650   -3.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    2.4193   -4.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1325    2.3070   -3.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9370    2.9671   -5.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4489    2.8542   -4.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9435    1.4089   -4.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4450    1.3232   -4.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2135    2.2716   -4.5866 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8190    0.0138   -4.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8941   -0.2175   -5.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1848   -0.6159   -4.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2581   -0.9644   -5.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5040    0.1646   -6.7986 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4831   -0.1175   -7.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6931    1.1209   -8.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5089    5.5500   -1.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820    4.0907   -2.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971    5.2935    1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9180    3.8998    1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1642    3.8284    1.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0905    0.1920   -2.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0432   -0.1790   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0164   -1.2380   -2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6153    0.0678   -1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3226    3.4703   -4.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3278    2.0030   -5.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917    1.2470   -3.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3926    2.7535   -2.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6709    4.0297   -5.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6723    2.5193   -6.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7260    3.3751   -3.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9573    3.3826   -5.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6675    0.9037   -5.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5044    0.8687   -3.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0463    0.6491   -6.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5603   -1.0407   -6.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0079   -1.4731   -4.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5219    0.2093   -4.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9223   -1.8068   -6.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1847   -1.2495   -5.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1377   -0.9434   -8.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4253   -0.4011   -7.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7581    1.4248   -9.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4436    0.9361   -9.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0233    1.9635   -8.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$

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2025-04-26, 698👍, 0💬