Molecule FYI-1009589

Home > Molecule

A

Molecule Summary:

ID: FYI-1009589
Names:
InChIKey: VORKGRIRMPBCCZ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009589 Edit

Molecule Structure InChIKey: VORKGRIRMPBCCZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009589
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009589-3D
FYIcenter.com

 74 73  0  0  0  0  0  0  0  0999 V2000
    0.9891    0.0158   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5054    0.0168   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304    0.8404    1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5508    0.8449    1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0642    1.6695    2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825    1.6725    2.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938    2.4946    3.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6111    2.4979    3.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1217    3.3197    4.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6386    3.3226    4.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1490    4.1443    5.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658    4.1472    5.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1763    4.9690    6.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6935    4.9722    6.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2048    5.7942    8.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7227    5.7997    8.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2372    6.6203    9.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7573    6.6240    9.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2816    7.4453   10.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8067    7.4478   10.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3262    8.2709   11.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8527    8.3061   11.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3042    9.1353   12.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5533    9.6890   13.6564 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6646    9.1817   12.9384 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1372    9.9576   14.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.5763   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020    1.0352   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972   -0.4135    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785    0.4288   -1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -1.0131   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569    0.4284    2.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593    1.8703    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9301    1.2604    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278   -0.1823    1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    1.2559    3.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907    2.6983    2.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606    2.0886    1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583    0.6446    2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7185    2.0783    4.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7186    3.5228    3.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9873    2.9145    2.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9873    1.4700    3.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    2.9032    5.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    4.3478    4.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0144    3.7391    3.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0144    2.2946    4.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7732    3.7277    6.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7732    5.1723    5.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0415    4.5637    4.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0415    3.1191    5.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8002    4.5523    7.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8002    5.9969    6.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0688    5.3885    5.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0688    3.9440    7.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8293    5.3764    9.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8270    6.8215    8.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0961    6.2177    7.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0984    4.7714    8.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8599    6.2020   10.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8599    7.6478    9.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1293    7.0392    8.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1293    5.5947    9.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9022    7.0303   11.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9045    8.4731   10.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1786    7.8633    9.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1763    6.4182   10.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9354    7.8559   12.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9378    9.2946   11.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2480    8.7508   10.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2457    7.2888   11.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2303    9.9490   14.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7973    9.5237   14.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7996   10.9964   13.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  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
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  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
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  1  0  0  0  0
 20 66  1  0  0  0  0
 20 67  1  0  0  0  0
 21 22  1  0  0  0  0
 21 68  1  0  0  0  0
 21 69  1  0  0  0  0
 22 23  1  0  0  0  0
 22 70  1  0  0  0  0
 22 71  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 72  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 1113👍, 0💬