Molecule FYI-1014331

A

Molecule Summary:

ID: FYI-1014331
Names:
InChIKey: IEPVFIULOJBBHC-GXDHUFHOSA-N
SMILES: C/C(=C\\COc2ccc1ccc(=O)oc1c2)CCC(=O)C(C)C

Received at FYIcenter.com on: 2025-04-02

Molecule ID: FYI-1014331 Edit

Molecule Structure InChIKey: IEPVFIULOJBBHC-GXDHUFHOSA-N

Molecule Structure SMILES String: C/C(=C\COc2ccc1ccc(=O)oc1c2)CCC(=O)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014331
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
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 20 16  2  0  0  0  0
 21  8  2  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014331-3D
FYIcenter.com

 45 46  0     0  0  0  0  0  0999 V2000
    0.7479    1.3528   -1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2803   -0.6588   -1.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053   -1.3220   -0.7948 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067   -2.5907   -0.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6691   -0.0100    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1514   -0.4776    0.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308    0.0035   -0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0553   -0.4006   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590    0.3904   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5056   -0.0885    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1954   -1.8809    1.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5902    1.4934   -0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2453    1.9510   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9581    1.0885   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231    0.5626    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485   -0.2305   -0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211    0.0185   -0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    1.8967    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    1.6349    1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7120    0.2456    1.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229   -0.7895    0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9419   -1.6438   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3859   -1.0322    1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  2  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
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 13 36  1  0  0  0  0
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 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
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 18 41  1  0  0  0  0
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 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1280👍, 0💬