Molecule FYI-1006079

A

Molecule Summary:

ID: FYI-1006079
Names:
InChIKey: CXCYCFDGKJSNIJ-DKNZHKMCSA-N
SMILES: CN1C2CC(CC1C3C2O3)OC(=O)CC4=CC=CC=C4

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006079 Edit

Molecule Structure InChIKey: CXCYCFDGKJSNIJ-DKNZHKMCSA-N

Molecule Structure SMILES String: CN1C2CC(CC1C3C2O3)OC(=O)CC4=CC=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006079
FYIcenter.com

 39 42  0     1  0  0  0  0  0999 V2000
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    7.8210    0.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802    1.1286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -1.4120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6433   -0.4723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3580   -0.8200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6168    0.1460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6297   -1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4068   -0.9853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802    1.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006079-3D
FYIcenter.com

 39 42  0     1  0  0  0  0  0999 V2000
    4.8234    1.5825   -0.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -1.0487   -0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820    0.9099   -0.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.7477    0.6067 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128    0.8144   -1.1825 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5258    1.5373    0.0794 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7146   -0.6560   -0.8575 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2646    0.4780    1.1220 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2640   -1.1443   -1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    0.1166    1.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2429   -0.3089   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070   -0.9027    1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185   -0.3090   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -1.2392    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6213   -0.5162    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1740   -0.0675    1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5162    0.3734   -1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7106   -1.8380    0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 29  1  0  0  0  0
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 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
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 20 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1348👍, 0💬