Molecule FYI-1011441

Home > Molecule

A

Molecule Summary:

ID: FYI-1011441
Names:
InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-08-08

Molecule ID: FYI-1011441 Edit

Molecule Structure InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1011441
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    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
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  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 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011441-3D
FYIcenter.com

 71 70  0  0  0  0  0  0  0  0999 V2000
    1.0535   -0.0391   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695   -0.0351   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0928    1.1358    0.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    1.1419    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    2.3138    1.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6427    2.3174    1.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1536    3.4882    2.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6707    3.4898    2.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1814    4.6614    3.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6982    4.6654    3.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2092    5.8358    4.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7261    5.8400    4.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368    7.0115    4.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7539    7.0147    4.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2652    8.1866    5.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7836    8.1916    5.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2954    9.3649    6.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8154    9.3776    6.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3293   10.5554    7.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8513   10.5672    7.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4219   11.7320    8.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9341   11.6888    8.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5933   10.8392    7.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4743   12.7162    8.8393 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9071   12.7128    8.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784   -0.8803   -0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6663    0.8878   -0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6639   -0.1285    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    0.0331   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9394   -0.9784    0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180    1.0696    1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227    2.0800    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929    1.2126   -0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    0.2016    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7478    2.2455    2.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7525    3.2564    1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0217    2.3871    0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0170    1.3762    1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7758    3.4193    3.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7804    4.4301    1.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0486    3.5575    1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0439    2.5486    2.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8040    4.5928    4.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8064    5.6022    2.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0753    4.7359    2.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0730    3.7241    3.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338    5.7652    5.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338    6.7775    3.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1019    5.9093    3.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1019    4.8990    4.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    6.9428    5.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8621    7.9525    4.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1302    7.0829    3.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1278    6.0732    5.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8871    8.1176    6.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8894    9.1271    5.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1592    8.2592    4.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1569    7.2497    6.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9154    9.2943    7.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9178   10.3039    6.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1915    9.4436    5.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1892    8.4349    6.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9493   10.4813    8.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9493   11.4925    6.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2184   10.6229    6.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2184    9.6183    7.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0818   11.6619    9.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0795   12.6817    7.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2592   13.5634    9.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2878   12.8207    7.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2927   11.7941    9.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 59  1  0  0  0  0
 17 60  1  0  0  0  0
 18 19  1  0  0  0  0
 18 61  1  0  0  0  0
 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
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 22  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 158👍, 0💬