Molecule FYI-1003860

Home > Molecule

A

Molecule Summary:

ID: FYI-1003860
Names:
InChIKey: YGCGPCUUTAKOEU-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003860 Edit

Molecule Structure InChIKey: YGCGPCUUTAKOEU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003860
FYIcenter.com

 29 28  0  0  0  0  0  0  0  0999 V2000
   32.7358    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003860-3D
FYIcenter.com

 89 88  0  0  0  0  0  0  0  0999 V2000
    0.9166    0.0887   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.0893   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   -0.0396   -1.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4868   -0.0415   -1.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0048   -0.1710   -2.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5244   -0.1723   -2.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390   -0.3001   -4.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5592   -0.3033   -4.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683   -0.4302   -5.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5867   -0.4330   -5.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0957   -0.5605   -7.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -0.5633   -7.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1225   -0.6906   -8.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6395   -0.6935   -8.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1501   -0.8188  -10.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667   -0.8197  -10.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1764   -0.9448  -11.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6940   -0.9474  -11.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2013   -1.0711  -12.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7210   -1.0753  -12.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2346   -1.1980  -14.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7521   -1.2031  -14.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2720   -1.3230  -15.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7913   -1.3291  -15.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2921   -1.4476  -17.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8144   -1.4555  -17.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3487   -1.5769  -18.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8864   -0.4192  -19.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8742   -1.6371  -18.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440    0.1813    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.8413   -0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    0.9257   -0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8044   -0.7409    0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026    1.0175    0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929    0.7911   -2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922   -0.9668   -1.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -0.8730   -0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8654    0.8857   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314    0.6602   -3.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303   -1.0981   -3.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9014   -1.0055   -2.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    0.7534   -2.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6655    0.5325   -4.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6626   -1.2261   -4.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9339   -1.1358   -3.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9358    0.6233   -3.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6939    0.4031   -6.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6914   -1.3561   -6.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9611   -1.2662   -5.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9638    0.4929   -5.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7211    0.2726   -7.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7184   -1.4865   -7.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -1.3961   -6.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9902    0.3630   -6.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7485    0.1425   -9.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7456   -1.6166   -9.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0140   -1.5272   -8.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167    0.2321   -8.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7749    0.0142  -10.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7744   -1.7450  -10.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0425   -1.6526   -9.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0429    0.1067   -9.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8022   -0.1109  -12.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7994   -1.8703  -11.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0675   -1.7822  -10.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0700   -0.0228  -11.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8296   -0.2360  -13.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8255   -1.9950  -13.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0911   -1.9118  -12.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0964   -0.1529  -12.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8642   -0.3555  -14.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8555   -2.1167  -14.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1186   -2.0423  -13.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1283   -0.2828  -13.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8989   -0.4833  -16.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8919   -2.2429  -16.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1660   -2.1629  -15.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1657   -0.4017  -15.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8929   -0.6017  -17.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9006   -2.3640  -17.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1859   -2.2973  -16.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2022   -0.5413  -16.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9748   -2.5141  -19.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1877    0.5460  -19.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7996   -0.4113  -19.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3158   -0.5037  -20.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2972   -0.7210  -18.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2723   -1.7579  -19.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2213   -2.4835  -18.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 15  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 16  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 16 17  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 18  1  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 19  1  0  0  0  0
 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 19 20  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 20 21  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 22  1  0  0  0  0
 21 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 23  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 23 24  1  0  0  0  0
 23 75  1  0  0  0  0
 23 76  1  0  0  0  0
 24 25  1  0  0  0  0
 24 77  1  0  0  0  0
 24 78  1  0  0  0  0
 25 26  1  0  0  0  0
 25 79  1  0  0  0  0
 25 80  1  0  0  0  0
 26 27  1  0  0  0  0
 26 81  1  0  0  0  0
 26 82  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 83  1  0  0  0  0
 28 84  1  0  0  0  0
 28 85  1  0  0  0  0
 28 86  1  0  0  0  0
 29 87  1  0  0  0  0
 29 88  1  0  0  0  0
 29 89  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2793👍, 0💬