Molecule FYI-1001393

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A

Molecule Summary:

ID: FYI-1001393
SMILES: CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O

Received at FYIcenter.com on: 2022-06-28

Molecule ID: FYI-1001393 Edit

Molecule Structure SMILES String: CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001393
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   14.3401    5.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1275    6.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1275    7.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    6.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2778    6.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 20  1  0  0  0  0
 34 16  1  0  0  0  0
 35 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001393-3D
FYIcenter.com

 70 71  0  0  1  0  0  0  0  0999 V2000
    3.7438    0.7325    1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725    0.6305   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906    0.9858   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    1.5567   -1.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0703    1.1239   -1.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525    0.0233   -1.2212 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7379    2.1966   -2.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1011    1.7114   -2.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    2.7361   -3.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    2.1753   -4.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3053    1.5157   -5.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5884    0.8328   -5.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1898    1.3442   -6.9640 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4949    0.6027   -7.2972 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3169    1.5400   -8.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5416    2.8606   -8.2380 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5844    2.8342   -7.0284 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3023    3.3108   -5.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9190    4.3392   -5.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6213    4.7777   -3.7570 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1162    4.4083   -3.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7162    4.7903   -2.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0609    4.5471   -2.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8416    3.8732   -3.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2124    3.7171   -3.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 429👍, 0💬