Molecule FYI-1006486

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A

Molecule Summary:

ID: FYI-1006486
Names:
InChIKey: SCLHTICPONBAPV-UHFFFAOYSA-N
SMILES: O=c3ccc(=O)c(CCc2ccc1ccccc1c2)c3

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006486 Edit

Molecule Structure InChIKey: SCLHTICPONBAPV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3ccc(=O)c(CCc2ccc1ccccc1c2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006486
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   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  2  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  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19 18  1  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006486-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.6264    0.6451   -2.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    0.3957   -1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7102    1.3432   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0976    1.0561    1.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474   -0.2177    1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627   -0.4510    2.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6869   -1.1797   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3777   -2.5185    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9144   -2.4689    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003   -3.8238    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -4.9612   -0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7540   -6.1791   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0083   -6.2878    0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7151   -7.5029    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9681   -7.5912    0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.4711    1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8305   -5.2600    1.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5715   -5.1508    0.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618   -3.9351    0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279   -0.8692   -1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2718    2.2662   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327    1.7385    1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -3.1262   -0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0392   -3.0410    0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654   -1.8910    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2563   -1.9374   -0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -4.9335   -1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -7.0429   -1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2946   -8.3875   -0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5088   -8.5344    0.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -6.5382    1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2828   -4.3954    1.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020   -3.0572    1.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019   -1.5475   -1.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2024-01-10, 1542👍, 0💬