Molecule FYI-1003794

A

Molecule Summary:

ID: FYI-1003794
Names:
InChIKey: IWJFOJXWXZQUJI-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003794 Edit

Molecule Structure InChIKey: IWJFOJXWXZQUJI-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003794
FYIcenter.com

 41 41  0  0  0  0  0  0  0  0999 V2000
    0.6362   12.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136   11.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136    7.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362    5.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573    4.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628    3.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    1.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3768    0.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6945    0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689    0.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8587    0.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2086    0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4861    1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6612    1.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7063    2.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5971    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3125    5.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8359    6.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1549    7.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2620    9.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1549   10.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8359   11.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3125   13.1953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5971   14.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7063   15.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6612   16.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4861   17.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2086   17.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8587   18.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4679   18.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689   18.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6945   17.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3768   17.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469   16.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335   15.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   14.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573   13.8106    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 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 41  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003794-3D
FYIcenter.com

 83 83  0  0  0  0  0  0  0  0999 V2000
   17.6583    8.9390  -10.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0067    9.9559  -11.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2172   11.0399  -12.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4122   11.8608  -14.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6008   12.8741  -15.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5428   13.7890  -15.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8343   14.3941  -16.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9202   14.4066  -16.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1866   13.4944  -15.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7941   13.4219  -14.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0148   12.6237  -14.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6329   12.8560  -14.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0368   12.0046  -13.3841 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6210   11.9703  -13.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9571   11.0836  -12.4119 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4048   11.0397  -12.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4362   10.4004  -11.4236 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9687   11.0227  -11.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8576   10.0823   -9.9825 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5451    9.7647   -9.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2825    8.5850   -9.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9649    8.6807   -9.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9365    7.8125   -8.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6532    7.6949   -8.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3188    6.8420   -7.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9124    7.0408   -7.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3313    6.2415   -6.8022 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9486    6.2283   -6.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5754    5.2890   -5.8076 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2168    5.0864   -6.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6989    4.2196   -5.1134 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4014    4.4044   -4.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454    3.3574   -3.6546 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8245    3.0923   -3.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467    2.1289   -2.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9205    2.5200   -2.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3758    3.7334   -4.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6679    4.8676   -5.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5299    5.9765   -6.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4385    7.0022   -8.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5521    7.8829   -9.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2711    8.1142   -9.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0219    8.9790   -9.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4973    9.8126  -11.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3910    9.3741  -12.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6912   12.9426  -14.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6852   12.9531  -13.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1019   14.0511  -16.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0426   14.8971  -15.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6228   13.9753  -17.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6224   15.5012  -15.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5160   12.9153  -16.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4553   14.5816  -14.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3568   12.3364  -15.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2821   14.1594  -14.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3322   11.4408  -14.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3756   13.1841  -13.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1150   10.4942  -13.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2343   12.1915  -12.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6968   11.2830  -11.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2396   12.0534  -11.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4354    8.7381  -10.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6584   10.8069   -9.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6455    8.3587  -10.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4728    9.6955   -9.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3709    7.1560   -9.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2429    8.8912   -8.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7445    6.5648   -8.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5040    8.2423   -7.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5885    5.7142   -7.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3581    7.2903   -6.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8281    4.5931   -7.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8999    6.1672   -5.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0485    3.8335   -5.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7287    5.5354   -4.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4936    2.5451   -4.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3363    4.1000   -2.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3888    1.5166   -3.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3046    3.1736   -1.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4225    3.8084   -5.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    4.7048   -4.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2291    5.9299   -7.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4118    6.8479   -6.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
  2 45  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 50  1  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 78  1  0  0  0  0
 36 79  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 80  1  0  0  0  0
 38 81  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 82  1  0  0  0  0
 40 83  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2027👍, 0💬