Molecule FYI-1007930

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A

Molecule Summary:

ID: FYI-1007930
Names:
InChIKey: XSXWOBXNYNULJG-UHFFFAOYSA-N
SMILES: CC(C)(C)CC(C)(C)c1ccccc1O

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007930 Edit

Molecule Structure InChIKey: XSXWOBXNYNULJG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)CC(C)(C)c1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007930
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.3622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007930-3D
FYIcenter.com

 37 37  0     0  0  0  0  0  0999 V2000
    0.7369    0.2253    2.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -1.3202    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    0.7579   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6540   -0.4937    0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8468   -0.4595   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0841   -2.3642    1.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009   -2.1454   -1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3469    1.3488    0.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8196    0.3773   -1.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1611    1.8638   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306    0.2505    0.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275   -0.4502   -1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    1.0247    0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5728    0.3238   -1.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969    1.0613   -0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911   -1.2028    0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4721   -0.1772    1.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105   -1.9490    2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461   -2.9001    0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8804   -3.1167    1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0216   -2.8757   -1.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -2.7208   -0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812   -1.5422   -2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791    1.6663    1.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1416    0.6115    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7998    2.2241    0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -0.5141   -1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4463    1.1894   -1.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    0.1996   -2.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449    2.7766   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648    2.1355    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    1.6025   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703   -1.0009   -2.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    1.6044    1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0572    0.3529   -2.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9885    1.6641   -0.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2364    0.7984    2.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 37  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 1262👍, 0💬