Molecule FYI-1007561

Home > Molecule

A

Molecule Summary:

ID: FYI-1007561
Names:
InChIKey: GGHQVHKMWVITSI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCC(O)CN(CCO)CCO

Received at FYIcenter.com on: 2024-03-01

Molecule ID: FYI-1007561 Edit

Molecule Structure InChIKey: GGHQVHKMWVITSI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCC(O)CN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007561
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    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 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007561-3D
FYIcenter.com

 67 66  0  0  1  0  0  0  0  0999 V2000
    0.8387    0.3993    0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546    0.3517    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829    1.2048   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    1.1564   -0.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9266    2.0105   -2.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4469    1.9640   -2.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9788    2.8156   -3.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4991    2.7599   -3.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0511    3.6001   -4.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    3.5294   -4.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1338    4.3677   -5.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6561    4.2988   -5.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1850    5.1523   -6.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7106    5.1208   -6.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2034    6.0063   -8.0361 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.7946    7.3598   -7.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7407    5.9959   -8.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4034    4.6822   -8.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8705    4.0596   -9.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4352    2.6702  -10.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2505    1.7428   -8.9684 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8741    4.8929   -8.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5389    5.4789   -7.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2478    4.6744   -6.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714   -0.2181    1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999    0.0161   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822    1.4215    0.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -0.6872    0.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645    0.7113    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    2.2423   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4653    0.8461   -1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397    0.1201   -1.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    1.5160   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    3.0478   -1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    1.6501   -3.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7821    0.9254   -2.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625    2.3232   -1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6481    3.8564   -3.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5710    2.4582   -4.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8271    1.7200   -3.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9041    3.1221   -2.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7259    4.6421   -4.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    3.2372   -5.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8939    2.4869   -4.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9676    3.8899   -3.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8119    5.4102   -5.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    4.0118   -6.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9821    3.2588   -5.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0623    4.6573   -4.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8365    6.1831   -6.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7655    4.7932   -7.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0480    4.0875   -7.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1219    5.4806   -5.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7247    5.7043   -8.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0238    7.5757   -6.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1293    6.4452   -7.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0043    6.6969   -8.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0157    4.7328  -10.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7926    3.9101   -9.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4977    2.7084  -10.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9072    2.2785  -10.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4950    2.2257   -8.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1060    5.5317   -9.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3517    3.9215   -8.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2189    6.5039   -7.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6253    5.5008   -7.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2961    4.4672   -6.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  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
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 175👍, 0💬