Molecule FYI-1013011

Home > Molecule

A

Molecule Summary:

ID: FYI-1013011
Names:
InChIKey: LKNQTUQBYIQWFZ-UHFFFAOYSA-N
SMILES: C1COCCCOCCOCCCOCCCOCCCOCCOCCCOC1

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013011 Edit

Molecule Structure InChIKey: LKNQTUQBYIQWFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCCCOCCOCCCOCCCOCCCOCCOCCCOC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013011
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.8604   10.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    2.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3839    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5963    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6367    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0291    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3202    5.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3202    7.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0291    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596   10.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6367   11.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5963   12.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3839   12.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   13.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601   13.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   13.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   12.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   12.1145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834   11.1777    0.0000 C   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
 30  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013011-3D
FYIcenter.com

 74 74  0     0  0  0  0  0  0999 V2000
   -1.5656   -1.8056   -1.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0092   -2.0459    1.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247    0.1808    1.3353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    1.9526    0.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575   -1.1166   -2.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -1.8037   -0.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8187    1.4055    1.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    2.8141   -0.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9195   -3.6069    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191    2.1876    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091    0.0813   -2.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2662   -0.3916    2.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653   -1.8571    2.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    3.3547   -0.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4324   -2.8933   -1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -2.6758    1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    1.2292    1.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663    2.8934    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9608   -1.0952   -2.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093   -1.0722    2.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.7876    2.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    2.4764    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181   -0.3469   -3.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7247    0.3407    1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698   -2.6559    0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823    3.8972   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3066   -1.5119   -2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -2.4942   -1.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1470    2.0711   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2325    3.2760   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447   -4.0611   -0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197   -4.4125    0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6502    1.6208   -0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4148    2.9403    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3957    0.7180   -3.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788    0.6719   -1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0199   -1.1459    2.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979    0.3186    3.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -2.5443    3.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0898   -1.3669    2.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1043    4.1953   -0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4386    2.7631   -1.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503   -2.5202   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4468   -3.5957   -2.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498   -3.2545    2.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9944   -1.9187    1.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8905    0.8039    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8322    1.7645    2.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    3.6736   -0.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1594    3.3594    1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9794   -0.7145   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460   -1.7659   -3.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1394   -0.3339    2.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -1.5681    3.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1341   -0.2970    3.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426   -1.2451    2.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    3.0179    1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526    1.6122    0.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4194   -0.9428   -4.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373    0.5438   -3.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7242    0.7578    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -0.3465    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3392   -3.4695    1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616   -3.0870    0.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2785    4.5334   -1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9974    4.4974    0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3872   -1.9949   -3.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9443   -0.6216   -2.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859   -3.3189   -1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7073   -2.8893   -1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0067    1.3734   -0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1903    2.4032   -0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486    3.8817    0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5575    3.8833   -1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 18  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 27  1  0  0  0  0
  6 25  1  0  0  0  0
  6 28  1  0  0  0  0
  7 24  1  0  0  0  0
  7 29  1  0  0  0  0
  8 26  1  0  0  0  0
  8 30  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 19  1  0  0  0  0
 11 23  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 20  1  0  0  0  0
 12 24  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 21  1  0  0  0  0
 13 25  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 22  1  0  0  0  0
 14 26  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 28  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  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 73  1  0  0  0  0
 30 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-11-23, 394👍, 0💬