Molecule FYI-1013515

A

Molecule Summary:

ID: FYI-1013515
Names:
InChIKey: SAOKZLXYCUGLFA-UHFFFAOYSA-N
SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC

Received at FYIcenter.com on: 2024-12-23

Molecule ID: FYI-1013515 Edit

Molecule Structure InChIKey: SAOKZLXYCUGLFA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013515
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  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  2  0  0  0  0
 18 16  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 20  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013515-3D
FYIcenter.com

 68 67  0  0  1  0  0  0  0  0999 V2000
    3.0266    0.8071   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    1.4804   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    0.9185   -1.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1733    1.5528   -2.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3754    1.3580   -1.4944 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6614   -0.1118   -1.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0964   -1.0004   -2.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418    2.0216   -2.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5063    3.4344   -2.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240    4.2057   -1.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5969    3.8014   -0.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9623    5.6221   -1.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4826    5.7631   -1.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9781    7.1553   -1.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194    8.2348   -0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1702    9.5709   -1.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9781    9.8025   -2.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8254   10.4327   -0.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9584   11.0959    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0002   12.6010    0.0333 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7105   13.3328    0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4033   13.2795    1.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2591   13.2372    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5690   12.6521    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7981   13.2612    0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0703   12.6086    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498    1.2390    0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769   -0.2656   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592    0.9354   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584    1.3320    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    2.5599   -0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026    1.0950   -2.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -0.1693   -1.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0035    2.6267   -2.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4196    1.1488   -3.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1223    1.8737   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7775   -0.5538   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488   -0.1380   -0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4420   -0.8961   -3.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   -2.0505   -1.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1213   -0.7703   -2.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8852    1.5927   -3.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    1.8361   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859    6.2828   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    5.8662   -2.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    5.0358   -2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8762    5.4957   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6528    7.4023   -2.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0765    7.1284   -1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8084    7.9429    0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4331    8.3665   -0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8730   10.6019   -0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9135   10.9231    1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0628   12.7267   -1.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8548   12.9185   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7797   14.3868    0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3255   12.2513    2.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4460   13.7716    2.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1680   13.7987    2.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2353   13.0953    1.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2497   14.3191    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6154   12.8060   -0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6089   11.5734    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7430   13.1171    1.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8343   14.3406    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0691   11.5324    0.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9501   13.0434    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1670   12.7501   -0.8110 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  8  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  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
 10 11  2  0  0  0  0
 10 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
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 54  1  0  0  0  0
 21 22  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
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 26  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 644👍, 0💬