Molecule FYI-1003789

Home > Molecule

A

Molecule Summary:

ID: FYI-1003789
Names:
InChIKey: JULWGWNBYFVGDD-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003789 Edit

Molecule Structure InChIKey: JULWGWNBYFVGDD-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003789
FYIcenter.com

 31 31  0  0  0  0  0  0  0  0999 V2000
    0.8340   10.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    8.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    4.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340    3.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337    2.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    1.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    0.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493    0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9314    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    0.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5437    1.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6508    1.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5626    2.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2420    4.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6612    5.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8029    6.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6612    8.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2420    9.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5626   10.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6508   11.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5437   12.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868   13.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9314   13.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5332   13.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493   13.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366   13.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   12.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337   11.4173    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
 31  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003789-3D
FYIcenter.com

 63 63  0  0  0  0  0  0  0  0999 V2000
   12.9216   -7.6935    7.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5965   -8.8614    8.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1226   -9.3275    9.7505 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8080  -10.0651    9.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0842  -10.6288   11.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7796  -11.3788   11.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4122  -10.7922   11.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5674  -10.5494   10.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1486   -9.7466    9.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8024  -10.1202    9.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9014   -9.7317    8.4745 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9402   -8.3378    8.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0207   -7.9294    7.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6938   -7.9140    7.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1643   -6.9169    7.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7893   -6.9948    7.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3367   -6.0129    6.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9589   -6.1472    6.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4809   -5.2424    5.1401 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0936   -5.2554    5.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7209   -4.2417    4.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419   -4.1240    4.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115   -2.9843    3.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5272   -3.1085    3.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893   -2.3039    2.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6105   -2.6040    2.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3025   -4.0007    3.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4228   -4.6237    4.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3949   -5.9944    5.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0916   -6.2291    6.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454   -7.5008    7.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2784   -7.7431    6.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377   -6.7341    8.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9262   -7.8767    8.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1154   -9.0872    7.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3192   -9.1018   10.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1307  -10.5672    9.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7518  -11.5680   12.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9252  -12.4277   10.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3979   -9.9888   11.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0878  -11.4427   10.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4234   -9.6163   10.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8059  -11.1980    9.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8094   -7.8440    9.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9199   -8.0942    8.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5252   -7.6124    8.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2196   -8.8937    7.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3881   -6.7948    8.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4839   -7.9766    6.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5338   -5.9025    7.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6866   -7.1498    5.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7183   -5.0322    6.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6884   -6.2283    4.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0182   -3.9981    5.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159   -5.0315    3.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0865   -2.8574    4.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046   -4.1513    3.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938   -1.7453    3.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3557   -2.5085    1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8336   -3.9688    5.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5663   -5.2887    4.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1929   -5.2375    6.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4677   -6.4029    5.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 607👍, 0💬