Molecule FYI-1006609

Home > Molecule

A

Molecule Summary:

ID: FYI-1006609
Names:
InChIKey: DAAPBRAVGSXYIK-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(N)CCCCCCCCCC

Received at FYIcenter.com on: 2024-01-04

Molecule ID: FYI-1006609 Edit

Molecule Structure InChIKey: DAAPBRAVGSXYIK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(N)CCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006609
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   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
    2.4249    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 N   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 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006609-3D
FYIcenter.com

 82 81  0  0  1  0  0  0  0  0999 V2000
    0.9426    0.0383   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    0.0355   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820   -1.3929   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4994   -1.4040   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0118   -2.8325   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5288   -2.8409   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384   -4.2667   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5595   -4.2734   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0676   -5.7007   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5822   -5.7051   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -7.1324   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6009   -7.1367   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1044   -8.5645    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6178   -8.5441    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1520   -9.9588    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6845   -9.9893    0.0486 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.2293   -9.3022    1.2204 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1911  -11.4295    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7163  -12.1959   -1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2119  -13.6175   -1.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7014  -14.3578   -2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1994  -15.7851   -2.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6981  -16.5298   -3.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2041  -17.9615   -3.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7071  -18.7115   -4.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2099  -20.1467   -4.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7103  -20.8889   -5.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639    1.0632   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -0.4536    0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5528   -0.4937   -1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324    0.5889    0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8268    0.5490   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065   -1.9465   -1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6100   -1.9075    0.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -0.8548    0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757   -0.8937   -1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349   -3.3856   -0.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -3.3466    0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9067   -2.2896    0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9037   -2.3261   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -4.8183   -0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6519   -4.7823    0.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9332   -3.7220    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324   -3.7590   -0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6908   -6.2502   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6921   -6.2144    0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9598   -5.1571    0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9585   -5.1922   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7128   -7.6826   -0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7155   -7.6467    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9802   -6.5874    0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -6.6251   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7339   -9.1185   -0.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7347   -9.0762    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9510   -7.9784    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9980   -8.0327   -0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7537  -10.4713   -0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7607  -10.4969    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0565   -9.4870   -0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8365   -9.7162    2.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9240   -8.3301    1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8454  -11.9422    0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2888  -11.4376    0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0490  -11.6850   -2.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6177  -12.2321   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8599  -14.1157   -0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3104  -13.6287   -1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0403  -13.8513   -3.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6011  -14.3428   -2.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8524  -16.2852   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2960  -15.7931   -2.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0440  -16.0255   -4.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013  -16.5189   -3.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8568  -18.4610   -2.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3007  -17.9668   -3.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0520  -18.2031   -5.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6100  -18.6988   -4.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8635  -20.6542   -3.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3059  -20.1582   -4.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6158  -20.9040   -5.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0700  -21.9208   -5.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0648  -20.4057   -6.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 59  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  1  0  0  0  0
 20 66  1  0  0  0  0
 20 67  1  0  0  0  0
 21 22  1  0  0  0  0
 21 68  1  0  0  0  0
 21 69  1  0  0  0  0
 22 23  1  0  0  0  0
 22 70  1  0  0  0  0
 22 71  1  0  0  0  0
 23 24  1  0  0  0  0
 23 72  1  0  0  0  0
 23 73  1  0  0  0  0
 24 25  1  0  0  0  0
 24 74  1  0  0  0  0
 24 75  1  0  0  0  0
 25 26  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 27  1  0  0  0  0
 26 78  1  0  0  0  0
 26 79  1  0  0  0  0
 27 80  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 1638👍, 0💬