Molecule FYI-1004085

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A

Molecule Summary:

ID: FYI-1004085
Names:
InChIKey: PHQOGHDTIVQXHL-UHFFFAOYSA-N
SMILES: CO[Si](CCCNCCN)(OC)OC

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004085 Edit

Molecule Structure InChIKey: PHQOGHDTIVQXHL-UHFFFAOYSA-N

Molecule Structure SMILES String: CO[Si](CCCNCCN)(OC)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004085
FYIcenter.com

 36 35  0  0  0  0  0  0  0  0999 V2000
    1.0782    6.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564    7.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4790    7.3483    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.7234    5.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0459    5.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2903    4.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2122    3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4566    1.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    1.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    8.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3127    9.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8015    6.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8797    7.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8294    5.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1735    8.0031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420    4.6396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    5.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4320    5.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273    6.8034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1950    3.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6764    4.3391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8896    3.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0705    1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2978    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6838    0.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0683   11.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6988    9.8835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    9.3947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679    8.8661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9579    8.6763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844    6.6934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    2.2273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1799    1.7459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4913    5.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6 22  1  0  0  0  0
  7  6  1  0  0  0  0
  7 23  1  0  0  0  0
  7  8  1  0  0  0  0
  8 25  1  0  0  0  0
  9  8  1  0  0  0  0
  9 27  1  0  0  0  0
  9 34  1  0  0  0  0
 11 29  1  0  0  0  0
 11 10  1  0  0  0  0
 11 28  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 12  1  0  0  0  0
 14  1  1  0  0  0  0
 17  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 24  8  1  0  0  0  0
 26  9  1  0  0  0  0
 30 11  1  0  0  0  0
 33 13  1  0  0  0  0
 35 34  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004085-3D
FYIcenter.com

 36 35  0     0  0  0  0  0  0999 V2000
    2.3718   -0.0042    0.0543 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.5767   -0.0083   -1.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5252   -1.3705    1.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    1.3592    1.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9648    0.0082    0.2879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6581   -0.0023   -0.2120 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919    0.0271   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5161    0.0336    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8285    0.0104   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2217   -0.0244   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3986    0.0124    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385   -0.0307   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265   -2.6579    0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4986    2.6473    0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -0.8459   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6468    0.9094   -1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4736   -0.8376    0.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4823    0.9251    0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728    0.8863   -1.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -0.8869   -1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309    0.8376    0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2757   -0.9378   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2821    0.8340   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622    0.9156    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3697   -0.8502    1.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5597   -0.0289   -1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    0.8580   -0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694   -0.9386   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254   -2.8277    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1845   -2.8000   -0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010   -3.4044    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6940    3.3903    1.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612    2.7658   -0.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    2.8458    0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6922    0.7931   -0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7012   -0.8336   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1652👍, 0💬