Molecule FYI-1015375

A

Molecule Summary:

ID: FYI-1015375
Names:
InChIKey: IAXXETNIOYFMLW-JENJKZFGSA-N
SMILES: C=C(C)C(=O)OC1C[C@H]2CC[C@]1(C)C2(C)C

Received at FYIcenter.com on: 2025-08-21

Molecule ID: FYI-1015375 Edit

Molecule Structure InChIKey: IAXXETNIOYFMLW-JENJKZFGSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OC1C[C@H]2CC[C@]1(C)C2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015375
FYIcenter.com

 16 17  0  0  1  0  0  0  0  0999 V2000
    7.0980    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    3.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    5.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    1.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049    3.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3808    3.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1599    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    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  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015375-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
    1.1448   -0.1531    0.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859    1.7285   -0.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511   -0.0627    0.7746 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5162    0.3726   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -0.3435   -1.3029 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0924    0.5067   -0.0988 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2554   -1.6088    0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016    0.2748   -1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629   -1.7954   -0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761    0.3681    2.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    1.8930   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8574   -0.1744    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2703    0.5735   -0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858   -0.2467    0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442   -1.7347   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5950    0.4021    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6519   -0.2760   -2.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    1.5792    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9289   -2.0968    1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2681   -2.0601    0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520   -0.3776   -2.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846    1.2264   -2.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329   -2.3240   -1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890   -2.3796   -0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894    1.4587    2.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    0.0058    2.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177   -0.0275    2.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8419    2.4277   -0.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5343    2.0959   -0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9663    2.3567    0.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6589    0.0192   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655   -1.2484    0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1311    0.3183    1.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7888   -2.1881    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663   -1.9946   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -2.1874    0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5143   -0.1368    0.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6211    1.4797    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  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 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 830👍, 0💬