Molecule FYI-1003801

A

Molecule Summary:

ID: FYI-1003801
Names:
InChIKey: ONSPOBHCPINTRF-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003801 Edit

Molecule Structure InChIKey: ONSPOBHCPINTRF-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003801
FYIcenter.com

 34 34  0  0  0  0  0  0  0  0999 V2000
    0.7630   10.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572    9.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572    5.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7630    4.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431    1.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603    1.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5543    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2948    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5480    1.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6652    1.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6084    3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3454    4.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8512    5.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1084    6.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1084    8.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8512    9.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3454   10.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6084   12.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6652   13.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5480   14.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2948   14.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482   15.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5543   15.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601   15.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136   14.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   14.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431   13.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   12.1586    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
 34  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003801-3D
FYIcenter.com

 68 68  0  0  0  0  0  0  0  0999 V2000
   15.3010   -5.5838    7.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0435   -6.7114    8.6836 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0354   -7.5236    9.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6947   -8.6608   10.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4738   -9.6490   10.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6941  -11.0379   11.9579 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3309  -12.1704   12.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9098  -13.8244   12.6569 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1130  -13.8635   11.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4104  -12.9516   10.3317 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0862  -12.7949    9.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7855  -11.9573    8.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4571  -11.5535    9.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9837  -10.5730    8.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6007  -10.5792    8.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0801   -9.6873    7.6267 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7223   -9.5586    7.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4342   -8.7106    6.7716 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1279   -8.3985    6.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7431   -7.5455    5.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3730   -7.7692    6.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7423   -6.8549    5.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4157   -6.9044    5.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0199   -6.2569    4.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6722   -6.1632    4.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4809   -5.2369    3.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1615   -4.9017    3.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192   -3.7660    2.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952   -2.7440    2.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4014   -2.3044    2.7872 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8624   -3.0639    4.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8127   -3.3448    4.9358 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4889   -3.9364    6.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3255   -4.9857    6.9853 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6876   -4.9258    6.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0348   -6.2237    7.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1854   -8.5506    9.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5511   -7.5446    8.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3863   -9.1066   11.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6459  -10.7056   10.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1147  -12.4941   13.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2439  -13.1654   11.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6813  -13.1187   12.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8761  -14.4629   11.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5352  -12.5058   10.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6983  -13.7845    9.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2616  -11.2068   10.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8315  -12.4281    9.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3217  -10.3590    9.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1902  -11.5562    8.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3964   -9.1393    8.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2719  -10.5320    7.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8016   -8.0707    7.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5730   -9.3190    6.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0451   -7.6640    7.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1270   -8.7516    5.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240   -6.4913    6.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9505   -7.8868    5.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3204   -6.1078    5.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1559   -7.0277    4.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589   -4.9566    4.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4586   -5.5629    2.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8222   -1.9836    2.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838   -3.5257    1.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8769   -2.1454    4.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9262   -3.8332    3.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7089   -3.6562    6.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7141   -4.6951    5.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  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
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2422👍, 0💬