Molecule FYI-1006519

A

Molecule Summary:

ID: FYI-1006519
Names:
InChIKey: ZQPJZDYDQDYJRX-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC

Received at FYIcenter.com on: 2023-12-31

Molecule ID: FYI-1006519 Edit

Molecule Structure InChIKey: ZQPJZDYDQDYJRX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006519
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1657    5.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  8 31  2  0  0  0  0
 15 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006519-3D
FYIcenter.com

 84 83  0  0  1  0  0  0  0  0999 V2000
    0.9050    0.0317   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    0.0372   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487    1.4566   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693    1.4669   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9828    2.8891   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5016    2.8985   -0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0148    4.3196   -0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5323    4.3272   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0445    5.7503   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5671    5.7558   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0788    7.1773   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    7.1959   -0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1201    8.6233   -0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6469    8.6414   -0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2136   10.0582   -1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7281   10.0153   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3402    9.3688   -1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2936   10.7154   -0.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7401   10.5757    0.0434 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.3857   11.5543   -0.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8507   12.8439   -0.6841 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1685   10.8943    1.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6022   10.8253    1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1305    9.5807    1.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4648    8.5560    1.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6418    9.6211    1.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2646    8.7718    0.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9225    9.2980   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5556    8.4293   -1.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1983    8.9583   -3.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8233    8.0967   -4.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4648    8.6315   -5.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5258   -0.9875    0.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    0.4398   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150    0.6377    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7935   -0.5922   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909   -0.3953    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5764    2.0863    0.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    1.8905   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    0.8424   -1.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    1.0385    0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6075    3.5160    0.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6079    3.3200   -1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8783    2.2738   -1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8782    2.4677    0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6398    4.9441    0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6380    4.7514   -1.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9077    3.6995   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9098    3.8923    0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6715    6.3678    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6696    6.1759   -1.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9392    5.1299   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9409    5.3225    0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6989    7.8002   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6980    7.6077   -1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9731    6.5713   -1.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9733    6.7578    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7329    9.2412   -0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7434    9.0512   -1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0134    8.0144   -1.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0128    8.1817   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8611   10.6818   -0.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8663   10.5244   -2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0439    9.5517   -0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1352   11.3094   -1.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4745   11.5749   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8813   12.7552   -0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6683   10.2330    2.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8598   11.9093    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9389    9.2334    2.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084   10.6522    1.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9215    7.7336    0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3544    8.7586    0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2707   10.3331   -0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8358    9.3068   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2031    7.3956   -1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6449    8.4158   -1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5470    9.9937   -3.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1076    8.9728   -3.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4724    7.0627   -4.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9133    8.0824   -4.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3798    8.6319   -5.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9161    8.0100   -6.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8278    9.6569   -5.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  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
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  0  0  0  0
 12 56  1  0  0  0  0
 12 57  1  0  0  0  0
 13 14  1  0  0  0  0
 13 58  1  0  0  0  0
 13 59  1  0  0  0  0
 14 15  1  0  0  0  0
 14 60  1  0  0  0  0
 14 61  1  0  0  0  0
 15 16  1  0  0  0  0
 15 62  1  0  0  0  0
 15 63  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 22  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 67  1  0  0  0  0
 22 23  1  0  0  0  0
 22 68  1  0  0  0  0
 22 69  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 28  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  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
 30 78  1  0  0  0  0
 30 79  1  0  0  0  0
 31 32  1  0  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
 32 82  1  0  0  0  0
 32 83  1  0  0  0  0
 32 84  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-10, 2670👍, 0💬