Molecule FYI-1013695

A

Molecule Summary:

ID: FYI-1013695
Names:
InChIKey: UNTBIWWDSYVOGA-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(=O)OCCO1

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013695 Edit

Molecule Structure InChIKey: UNTBIWWDSYVOGA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(=O)OCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013695
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.9951    9.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    8.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390    6.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6637    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    3.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380    2.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4027    1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7745    1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1733    1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5181    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7305    2.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7401    3.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4884    4.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9318    5.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0444    7.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8198    8.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2712   10.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4836   10.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4300   11.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3456   12.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808   12.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7091   12.9026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3102   12.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0857   14.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   12.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531   11.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7433   10.7869    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  2  0  0  0  0
  7  5  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  2  0  0  0  0
 13 11  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  2  0  0  0  0
 22 20  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  2  0  0  0  0
 28 26  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-1013695-3D
FYIcenter.com

 66 66  0     0  0  0  0  0  0999 V2000
    4.9587   -0.4385    0.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    1.9288    1.6237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826   -1.7857    0.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1510    0.7878    1.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -2.5420    1.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805    2.4823   -0.5920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -2.8022    1.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6654    0.3262   -0.8953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3686   -2.2166   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735    1.8121   -1.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209   -0.9470   -1.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962   -1.9019   -1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2864    3.1794   -1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871    1.8844   -1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6663   -1.1537   -1.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666   -3.1605   -1.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    3.0667   -0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309    2.5750   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835   -2.1295   -1.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4392   -2.8481   -0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536    2.5462    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471    2.4718   -0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001   -1.7464    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511    2.3359    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7116   -2.4842    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2488    1.0723   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1260    0.0521    1.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    1.5692    1.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049   -1.4061    1.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5414   -0.5277    1.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7430   -2.9508   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413   -2.6694   -2.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7765    1.2566   -0.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5416    1.2275   -1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078   -0.5410   -0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678   -0.1842   -2.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766   -1.1824   -1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631   -1.4259   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    3.7604   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    3.7424   -1.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558    0.8580   -1.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007    2.4024   -2.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1653   -0.1771   -1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613   -1.5099   -2.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5927   -3.8928   -0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8848   -3.6221   -2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5927    2.4252   -1.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733    4.0590   -1.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609    3.6369   -0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149    2.1439    0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5004   -2.2069   -1.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0447   -3.1317   -1.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0473   -3.7298   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7645   -2.0263   -1.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5061    3.2652    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929    1.5832    0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0642    2.7776   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2479    3.1466    0.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1192   -0.2482    2.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3555   -0.3699    2.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3113    1.9808    2.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6605    2.0087    1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4941   -0.8612    2.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5474   -2.3156    2.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2885   -0.9624    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0020   -0.4010    2.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 27  1  0  0  0  0
  2 24  1  0  0  0  0
  2 28  1  0  0  0  0
  3 25  1  0  0  0  0
  3 29  1  0  0  0  0
  4 26  1  0  0  0  0
  4 30  1  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
  8 26  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 15  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 19  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 20  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 21  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 22  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 23  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 25  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 24  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 26  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 30  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1211👍, 0💬