Molecule FYI-1003773

A

Molecule Summary:

ID: FYI-1003773
Names:
InChIKey: TUBGFBYSFNETDP-UHFFFAOYSA-N
SMILES: C1COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1

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

Molecule ID: FYI-1003773 Edit

Molecule Structure InChIKey: TUBGFBYSFNETDP-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003773
FYIcenter.com

 37 37  0  0  0  0  0  0  0  0999 V2000
    0.7029   11.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2366   10.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2366    6.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7029    4.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    3.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653    2.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    1.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8073    0.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760    0.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9634    0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020    0.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5521    1.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6777    2.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6464    3.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4304    4.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0070    5.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3598    6.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4785    8.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3598    9.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0070   10.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4304   12.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6464   13.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6777   14.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5521   15.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020   15.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9634   16.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747   16.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760   16.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8073   16.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084   15.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162   14.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   13.9580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   12.8688    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
 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
 37  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003773-3D
FYIcenter.com

 87 87  0  0  0  0  0  0  0  0999 V2000
   17.1173    5.5988   10.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3606    6.5614   12.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2863    7.5264   13.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5084    8.5292   14.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7540    9.2876   15.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7592   10.1916   16.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8218   10.7164   16.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6835   10.3169   15.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3365    9.5409   14.7379 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0091    9.6415   14.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1496    9.1717   13.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7669    9.6066   13.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9560    8.7048   13.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3968    8.7679   12.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0367    7.9665   11.7111 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6263    7.7824   11.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0136    7.3789   10.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7374    7.8329   10.4324 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1326    6.7353    9.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7229    7.0060   10.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1966    6.6049    8.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8631    6.9600    8.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4683    5.6639    7.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1395    5.9701    7.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4967    5.0037    6.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8912    5.4086    7.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5772    4.6461    5.8736 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3327    4.3080    6.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6635    2.6262    4.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1736    2.3947    3.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8586    1.8830    2.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162    2.0020    2.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    1.8041    4.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9537    2.5900    5.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0270    2.8377    6.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0162    3.6669    8.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9344    4.6152    9.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3871    5.6805    9.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8124    4.4643   10.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2400    7.6540   12.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6881    7.9366   11.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6136    9.5918   14.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3072    9.2760   15.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7941    9.5639   16.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6642   10.5850   15.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.3989   10.3417   17.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.2750   11.4965   16.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.2761   11.5818   15.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4644    9.5597   16.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6353   10.9714   14.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7267    8.8357   16.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9825    8.4144   14.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2876   10.2170   13.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2025    7.7983   13.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2462    9.3623   12.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9587    9.9999   13.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8205    7.7403   13.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2401    8.8663   12.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3243    6.6394   12.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1166    6.3215   10.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5496    8.0407   10.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4420    5.7302   10.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4598    6.9722    8.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3525    7.9876   10.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3601    6.5575   10.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1653    7.7315    8.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1551    7.0103   10.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6292    4.5100    7.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8441    5.8299    6.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875    3.7224    6.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6822    5.1680    5.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2230    6.1847    6.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3172    5.1642    8.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4880    4.9458    5.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6920    4.1755    7.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3184    1.3034    5.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9605    3.2644    4.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6126    1.0259    3.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5401    2.8685    2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7281    3.1121    2.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0473    0.9705    3.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7427    2.9947    4.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4886    2.0790    5.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2303    2.2830    5.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0552    3.3878    5.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6558    3.5346    8.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697    4.5387    8.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 62  1  0  0  0  0
 19 63  1  0  0  0  0
 20 21  1  0  0  0  0
 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 66  1  0  0  0  0
 22 67  1  0  0  0  0
 23 24  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  1  0  0  0  0
 26 72  1  0  0  0  0
 26 73  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 30  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
 32 33  1  0  0  0  0
 32 80  1  0  0  0  0
 32 81  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 82  1  0  0  0  0
 34 83  1  0  0  0  0
 35 36  1  0  0  0  0
 35 84  1  0  0  0  0
 35 85  1  0  0  0  0
 36 37  1  0  0  0  0
 37 86  1  0  0  0  0
 37 87  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-03, 519👍, 0💬