Molecule FYI-1003805

A

Molecule Summary:

ID: FYI-1003805
Names:
InChIKey: CEVMYEGHYWMMOA-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003805 Edit

Molecule Structure InChIKey: CEVMYEGHYWMMOA-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003805
FYIcenter.com

 42 42  0  0  0  0  0  0  0  0999 V2000
    0.6213   12.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087   11.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087    7.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213    5.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    4.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174    3.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5799    0.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9447    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019    0.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4051    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6175    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7120    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6643    3.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4530    4.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0604    5.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4730    7.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6817    8.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6817   10.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4730   11.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0604   12.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4530   14.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6643   15.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7120   16.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6175   17.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4051   17.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019   18.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370   18.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409   18.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9447   18.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5799   18.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   17.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642   17.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697   16.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   15.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   14.0506    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
 42 41  1  0  0  0  0
 42  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003805-3D
FYIcenter.com

 84 84  0  0  0  0  0  0  0  0999 V2000
   18.7612    7.0242   10.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9710    7.5695   12.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2740    8.3660   13.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3778    8.9099   15.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6688    9.4048   16.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5155   10.0234   18.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4093   10.3772   19.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2034   10.6735   21.4033 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5789    9.5073   21.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3632    8.6500   19.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9996    8.3715   19.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7250    7.4681   18.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2229    7.3867   18.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4814    7.3230   16.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9533    7.3901   16.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4994    6.5968   15.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0810    6.5912   15.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8041    6.1889   14.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4198    6.3338   14.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9772    5.9146   13.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6262    5.9049   13.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3675    5.2784   12.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0769    5.5156   12.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7819    4.8201   11.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5047    4.7123   11.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2395    4.2702    9.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0772    3.3759    9.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3092    3.4539    8.7016 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9258    3.5236    8.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4418    3.1330    7.5717 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1849    2.7555    8.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8869    2.3622    6.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6423    2.7452    5.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2769    1.7957    4.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1057    1.8968    4.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2742    1.0585    3.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9702    1.5979    3.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6795    3.1539    4.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1026    3.8230    6.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1083    4.7606    7.3186 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2684    5.5285    8.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5359    6.2054    9.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8527    5.9857   10.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6176    6.0101   10.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7938    8.0093   13.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3882    7.9042   14.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2998    9.5542   16.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0384    9.0915   17.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8790   10.9492   20.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8990    9.9829   20.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9663   10.8490   21.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3769    8.9195   21.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9866    9.1340   19.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8097    7.9635   20.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7514    8.3979   18.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0024    7.5424   19.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4115    8.4953   17.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9898    7.0527   17.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6236    7.7648   16.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4027    5.8826   16.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8200    7.3331   14.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1188    5.8339   15.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0543    6.9315   13.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4727    5.3672   14.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6805    6.5536   12.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6102    5.0538   13.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9227    5.8760   12.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7652    4.2329   12.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1376    4.1000   10.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2100    3.6202   10.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5272    4.4840    9.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2708    3.0479    9.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5348    3.8341    8.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2037    2.4788    8.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6439    4.1481    5.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7929    2.2608    6.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9049    2.9637    3.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5825    1.3832    4.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3994    2.4978    3.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2160    0.7194    4.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5436    3.3722    5.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7579    2.7890    5.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4495    4.5454    7.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1144    4.5283    7.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  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
  9 10  1  0  0  0  0
  9 51  1  0  0  0  0
  9 52  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  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
 19 20  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 81  1  0  0  0  0
 39 82  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 83  1  0  0  0  0
 41 84  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 491👍, 0💬