Molecule FYI-1004348

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A

Molecule Summary:

ID: FYI-1004348
Names:
InChIKey: YSDGSQDHXJAHIA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCN(CCO)CCO

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004348 Edit

Molecule Structure InChIKey: YSDGSQDHXJAHIA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004348
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   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
   13.3369    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    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
    7.2747    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
    3.6374    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   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
    0.0000    0.0000    0.0000 O   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 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004348-3D
FYIcenter.com

 48 47  0     0  0  0  0  0  0999 V2000
    3.9991   -3.4139    1.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389    2.8593    1.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913   -0.0214   -0.2155 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    0.4556   -0.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0053   -0.0762   -1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682   -0.0568   -1.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0603    0.3710   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758    0.4294   -1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4662   -0.1495   -0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5717    0.2831    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9612   -0.2188    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6968   -1.4277   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3853    0.8085    0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0350    0.3159    0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143   -2.0482    1.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469    2.0948    0.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4146   -0.2052    0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    1.5522   -0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6545    0.1608    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001    0.2574   -2.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777   -1.1725   -1.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.2998   -2.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256   -1.1498   -1.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705    0.0281    0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847    1.4670   -0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8533    1.5240   -1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852    0.1023   -2.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7384    0.1809   -1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373   -1.2462   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5843    1.3789    0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3275   -0.0772    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9689   -1.3153    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1876    0.0991   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7047   -1.5509   -0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -2.0264   -0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1274    1.0286   -0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9553    0.3048    1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0444    1.4117    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8039    0.0186    2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2786   -1.5644    1.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -2.0049    1.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3139    2.7097    0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1721    1.8799    1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4477   -1.2983    0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1668    0.1897    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6901    0.1006   -0.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9234   -3.7899    1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    3.6682    1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 47  1  0  0  0  0
  2 16  1  0  0  0  0
  2 48  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1419👍, 0💬