Molecule FYI-1002771

A

Molecule Summary:

ID: FYI-1002771
Names:
InChIKey: SPXUTXKDZPNJIN-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCOC2OC(COC1OC(CO)C(CO)C(O)C1O)C(O)C(O)C2O

Received at FYIcenter.com on: 2023-04-21

Molecule ID: FYI-1002771 Edit

Molecule Structure InChIKey: SPXUTXKDZPNJIN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCOC2OC(COC1OC(CO)C(CO)C(O)C1O)C(O)C(O)C2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002771
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   24.2486    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    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
   18.1865    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
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   10.9119    4.2000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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  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 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 28 18  1  0  0  0  0
 29 28  1  0  0  0  0
 30 15  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 34 13  1  0  0  0  0
 35 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002771-3D
FYIcenter.com

 81 82  0  0  1  0  0  0  0  0999 V2000
   17.2235    3.8929    3.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9757    3.8147    2.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2466    3.0651    1.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9871    2.9892    0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2452    2.2377   -0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9730    2.1749   -1.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2011    1.4267   -2.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134    1.3685   -3.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1206    0.6121   -5.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8234    0.5454   -5.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0235   -0.0916   -7.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4325   -1.4640   -7.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9061   -1.9767   -8.4541 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8375   -2.0975   -9.4101 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8689   -3.1114   -9.0723 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7424   -3.0845  -10.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7710   -4.0951   -9.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7016   -4.1151  -10.7914 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9506   -2.8938  -10.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353   -2.6762   -9.4706 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8188   -1.2321   -9.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9199   -0.9522  -10.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2840   -3.7636   -9.1758 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0484   -3.7469  -10.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -3.8787  -11.4707 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063   -5.1252   -9.2082 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0700   -6.1773   -8.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7918   -5.3362  -10.5177 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5464   -6.5564  -10.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5595   -4.4793   -9.0291 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1548   -4.7867  -10.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6694   -4.4569   -7.9717 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3405   -5.7246   -7.9815 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6584   -3.3191   -8.2661 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6698   -3.2270   -7.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0091    4.4332    4.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0290    4.4186    2.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5799    2.8921    3.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6242    4.8297    2.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1804    3.3102    3.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6005    2.0517    1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0441    3.5706    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6350    4.0034    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1889    2.4876    1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946    1.2217   -0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0408    2.7390   -1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6259    3.1933   -1.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1802    1.6775   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5505    0.4090   -2.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9881    1.9268   -3.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    2.3894   -4.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1248    0.8808   -3.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4781   -0.4021   -4.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8992    1.1153   -5.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4338    1.5612   -6.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0748   -0.0211   -5.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7817    0.4800   -7.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0829   -0.0530   -7.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6311   -1.2602   -8.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4299   -2.8893   -8.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1469   -3.2274  -11.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2694   -2.0952  -10.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1400   -4.2271  -11.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1116   -2.7314   -8.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601   -0.5366   -9.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3188   -1.0239   -8.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4451   -1.0186  -11.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040   -3.6135   -8.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4676   -2.8301   -9.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710   -4.5687   -9.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9713   -3.1406  -11.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7164   -5.1675   -8.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9880   -6.7074   -9.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0950   -5.4756  -11.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788   -6.3924   -9.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8561   -5.2893   -8.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4146   -3.9454  -10.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2439   -4.3369   -6.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4810   -5.9517   -8.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1878   -3.5560   -9.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2124   -2.9995   -6.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  2 40  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  7  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 51  1  0  0  0  0
  8 52  1  0  0  0  0
  9 10  1  0  0  0  0
  9 53  1  0  0  0  0
  9 54  1  0  0  0  0
 10 11  1  0  0  0  0
 10 55  1  0  0  0  0
 10 56  1  0  0  0  0
 11 12  1  0  0  0  0
 11 57  1  0  0  0  0
 11 58  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 59  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 60  1  0  0  0  0
 16 17  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 64  1  0  0  0  0
 21 22  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 67  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 24 69  1  0  0  0  0
 24 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 29  1  0  0  0  0
 28 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 76  1  0  0  0  0
 31 77  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 35  1  0  0  0  0
 34 80  1  0  0  0  0
 35 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1872👍, 0💬