Molecule FYI-1003877

A

Molecule Summary:

ID: FYI-1003877
Names:
InChIKey: FQZYTYWMLGAPFJ-BTKVJIOYSA-N
SMILES: CC/C(=C(c1ccccc1)\\c2ccc(OCCN(C)C)cc2)c3ccccc3.O=C(O)CC(O)(CC(=O)O)C(=O)O

Received at FYIcenter.com on: 2023-08-02

Molecule ID: FYI-1003877 Edit

Molecule Structure InChIKey: FQZYTYWMLGAPFJ-BTKVJIOYSA-N

Molecule Structure SMILES String: CC/C(=C(c1ccccc1)\c2ccc(OCCN(C)C)cc2)c3ccccc3.O=C(O)CC(O)(CC(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003877
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    7.0000   12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8563    5.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4199    9.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3198   10.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6986   10.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8409   12.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2774    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1774    9.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7562    7.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5200    8.8295    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
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 22 20  1  0  0  0  0
 23  3  1  0  0  0  0
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 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
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 28 23  1  0  0  0  0
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 31 30  2  0  0  0  0
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 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 33  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003877-3D
FYIcenter.com

 78 79  0  0  0  0  0  0  0  0999 V2000
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    1.9081    3.2557   -1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    4.3990   -1.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398    4.3053   -3.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242    5.2839   -3.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013    6.3635   -3.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6785    6.4765   -1.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942    5.5021   -1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488    3.0740   -0.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 78  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 3116👍, 0💬