Molecule FYI-1006129

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A

Molecule Summary:

ID: FYI-1006129
Names:
InChIKey: UUNAMHRNRUJYDO-UHFFFAOYSA-N
SMILES: CC(C)CCCOC(=O)c1ccccc1

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006129 Edit

Molecule Structure InChIKey: UUNAMHRNRUJYDO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCCOC(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006129
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   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
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   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
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006129-3D
FYIcenter.com

 33 33  0     0  0  0  0  0  0999 V2000
    0.0150   -0.2548    0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838   -2.2071   -0.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8762    0.4881    0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7347   -0.5023    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424    0.1174    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8529    1.7014   -0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2255   -0.2254    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2495   -0.8918   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -1.0302   -0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3569   -0.2509   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039   -0.9079    0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361    1.1057   -0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6816   -0.1760    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    1.8374   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866    1.1965    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7712    0.8461    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8101   -1.3530    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8577   -0.9071   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280    0.9721   -0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1914    0.5089    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    1.3957   -1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9761    2.3298   -0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7347    2.3311   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2746   -1.0788    0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3933   -0.5959   -0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0477    0.4521    0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3744   -1.2616   -1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.7379    0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5118   -1.9754    0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    1.6258   -0.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5947   -0.6747    0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5191    2.9057   -0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6037    1.7662    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 668👍, 0💬