Molecule FYI-1003802

A

Molecule Summary:

ID: FYI-1003802
Names:
InChIKey: DRNWGWZLBQTVNO-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003802 Edit

Molecule Structure InChIKey: DRNWGWZLBQTVNO-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003802
FYIcenter.com

 36 36  0  0  0  0  0  0  0  0999 V2000
    0.7220   11.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430   10.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    5.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    4.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220    3.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    2.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3943    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    0.7218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0797    0.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3953    0.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6078    1.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6802    2.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5801    3.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2801    4.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7589    5.9223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0021    7.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0021    8.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7589   10.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2801   11.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5801   12.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6802   13.6802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6078   14.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3953   15.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0797   15.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010   16.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010   16.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223   15.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   15.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3943   14.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   13.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220   12.6077    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
 36  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003802-3D
FYIcenter.com

 72 72  0  0  0  0  0  0  0  0999 V2000
   15.3588    8.0331   -6.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3222    8.8443   -7.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3634    9.6784   -8.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1077   10.6219   -9.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9438   11.1632  -11.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3738   12.1751  -12.3532 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1918   12.5132  -13.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3228   12.9030  -15.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7004   11.6671  -15.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9836   10.5550  -14.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6277   10.2436  -13.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0594    9.1209  -13.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6099    9.0125  -13.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3827    8.5265  -12.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1121    8.9120  -11.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9078    8.0890  -10.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5397    8.0229  -10.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2576    7.3042   -9.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8990    7.3242   -9.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5408    6.4536   -8.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1871    6.5962   -8.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6599    5.5792   -7.9080 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2807    5.7098   -8.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8046    4.8795   -7.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4423    4.9830   -7.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0796    4.1487   -6.0969 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7138    3.9859   -6.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8136    3.2710   -4.7735 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7674    3.2216   -3.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126    2.1815   -2.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1048    2.1664   -2.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1224    3.0824   -2.6013 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8016    4.3734   -3.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5528    5.5164   -4.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5162    6.4000   -4.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2977    7.2019   -5.9812 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4345    6.9435   -6.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5085    7.3850   -5.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6359    9.6088   -9.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3296    8.9520   -8.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0583   10.4188  -11.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2048   11.7670  -10.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4103   12.0229  -14.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3255   13.4646  -13.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5988   11.2451  -15.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1584   12.6185  -14.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4493   10.0746  -14.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0463   11.1529  -13.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6580   10.0601  -13.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5635    9.6143  -13.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5655    9.8801  -11.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5003    9.8350  -11.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1375    7.6944  -11.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9513    9.0018  -10.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5100    7.0442  -10.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5108    8.3586   -9.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7451    6.4629   -9.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8701    7.6450   -8.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8453    5.3825   -8.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9378    6.7688   -7.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0140    4.4845   -7.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9939    6.0120   -7.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9525    3.5062   -6.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2936    5.1860   -6.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9940    3.0486   -4.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7809    4.0519   -3.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    1.8064   -3.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1320    3.2118   -2.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8369    3.3643   -4.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5175    4.3825   -3.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7153    5.3444   -5.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1863    6.4907   -5.4165 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
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  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
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1983👍, 0💬