Molecule FYI-1003808

A

Molecule Summary:

ID: FYI-1003808
Names:
InChIKey: WGYIRKDEZBKNCI-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003808 Edit

Molecule Structure InChIKey: WGYIRKDEZBKNCI-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003808
FYIcenter.com

 48 48  0  0  0  0  0  0  0  0999 V2000
    0.5451   14.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   12.7680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    8.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    7.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808    4.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331    3.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230    2.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7338    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396    0.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5919    0.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3799    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7680    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1202    0.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4137    1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6261    1.7809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7368    2.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7268    3.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5790    4.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2790    5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8148    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1771    8.5919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3599    9.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3599   11.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1771   12.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8148   14.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2790   15.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5790   16.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7268   17.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7368   18.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6261   19.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4137   20.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1202   20.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7680   21.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3799   21.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9799   21.3599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5919   21.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396   20.8148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   20.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7338   19.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   18.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331   17.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   16.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808   15.4137    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
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003808-3D
FYIcenter.com

 96 96  0  0  0  0  0  0  0  0999 V2000
  289.6351  230.6992 -232.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  289.1551  229.5571 -234.8828 O   0  0  0  0  0  0  0  0  0  0  0  0
  288.7143  228.5711 -237.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
  288.3316  227.6230 -240.3886 O   0  0  0  0  0  0  0  0  0  0  0  0
  287.9626  226.6647 -242.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
  287.8172  225.7048 -245.7289 O   0  0  0  0  0  0  0  0  0  0  0  0
  287.4963  224.6263 -248.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  287.6994  223.8503 -250.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
  287.5706  221.9588 -250.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  287.3256  221.5035 -249.6696 O   0  0  0  0  0  0  0  0  0  0  0  0
  288.2561  222.4459 -248.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  287.7738  222.2792 -247.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
  288.7245  222.8549 -246.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
  287.8093  222.8611 -245.0404 O   0  0  0  0  0  0  0  0  0  0  0  0
  288.7626  223.5188 -243.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
  288.2156  223.8727 -242.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
  289.0297  224.9700 -242.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
  288.7239  225.0120 -241.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
  289.7880  225.9152 -240.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
  289.2982  225.5898 -239.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
  290.0892  226.7669 -238.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  291.0809  227.2940 -237.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
  290.5223  227.1716 -235.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  291.3739  227.4046 -234.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
  290.9102  228.6765 -234.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
  289.9119  228.3188 -233.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
  290.7912  228.9966 -232.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  290.9336  228.4122 -231.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
  291.7900  229.7530 -230.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  290.9073  229.1665 -229.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
  290.7883  230.1159 -227.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
  292.2016  231.0202 -227.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
  292.5354  231.8657 -226.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  292.1901  231.3662 -225.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
  293.0484  232.5251 -224.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
  293.0630  232.0478 -223.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
  293.3636  233.1895 -222.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
  292.8124  232.6577 -221.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
  293.7742  233.4747 -220.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  293.2178  233.1593 -219.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
  293.9593  234.2602 -218.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
  293.0898  234.2770 -216.6519 O   0  0  0  0  0  0  0  0  0  0  0  0
  293.0018  235.5894 -217.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
  292.1917  235.1230 -219.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
  291.7816  234.2889 -221.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  291.2549  233.4837 -223.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
  290.6223  232.6263 -226.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  290.2119  231.5969 -229.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
  289.5749  230.5054 -230.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.2894  230.2397 -230.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
  288.1301  227.2898 -238.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
  288.5043  227.3770 -238.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
  287.7953  225.3029 -244.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
  287.5592  225.5110 -244.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
  287.3029  223.8913 -249.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
  286.9412  223.8222 -249.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
  286.3537  222.0009 -251.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
  288.5403  221.6490 -251.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
  288.7443  223.6527 -249.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.0147  221.9321 -249.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.3472  222.1447 -245.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
  288.5746  223.8042 -245.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.7167  222.8803 -244.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
  288.5672  222.7533 -243.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.1031  226.1648 -242.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.8009  225.0544 -243.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.3593  225.5679 -239.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.0626  227.2401 -241.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.2721  226.6559 -237.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.9621  227.5234 -239.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.2126  226.1877 -236.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.9969  228.0363 -236.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.7586  229.7871 -234.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
  291.7622  229.3238 -233.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.5978  229.2155 -231.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.5533  230.2397 -233.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
  291.3692  231.1597 -230.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
  292.7488  230.1025 -230.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.1309  229.8785 -226.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
  289.6322  230.8334 -227.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
  292.5387  233.2185 -226.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
  293.3049  231.3582 -226.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
  292.5579  233.7909 -224.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
  293.9316  232.9648 -224.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
  293.0576  234.4944 -223.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
  294.3958  233.5412 -222.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
  293.5573  234.6332 -221.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
  294.9543  233.6202 -220.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
  293.9279  235.5760 -219.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
  294.9488  234.6337 -217.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
  293.2538  236.9507 -216.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
  294.4055  235.7719 -216.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
  292.5309  234.6870 -219.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
  292.7562  234.6638 -219.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
  290.9494  232.8637 -224.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
  291.3029  232.6546 -224.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 51  1  0  0  0  0
  3 52  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 53  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 55  1  0  0  0  0
  7 56  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 57  1  0  0  0  0
  9 58  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 59  1  0  0  0  0
 11 60  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 61  1  0  0  0  0
 13 62  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 63  1  0  0  0  0
 15 64  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 65  1  0  0  0  0
 17 66  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 69  1  0  0  0  0
 21 70  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 71  1  0  0  0  0
 23 72  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 73  1  0  0  0  0
 25 74  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 75  1  0  0  0  0
 27 76  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 79  1  0  0  0  0
 31 80  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 81  1  0  0  0  0
 33 82  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 83  1  0  0  0  0
 35 84  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 85  1  0  0  0  0
 37 86  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 87  1  0  0  0  0
 39 88  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 89  1  0  0  0  0
 41 90  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 91  1  0  0  0  0
 43 92  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 93  1  0  0  0  0
 45 94  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 95  1  0  0  0  0
 47 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1803👍, 0💬