Molecule FYI-1007262

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A

Molecule Summary:

ID: FYI-1007262
Names:
InChIKey: JKPCLJPYZMKPHM-UHFFFAOYSA-N
SMILES: c1ccc5c(c1)ccc4ccc3ccc2ccccc2c3c45

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007262 Edit

Molecule Structure InChIKey: JKPCLJPYZMKPHM-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc5c(c1)ccc4ccc3ccc2ccccc2c3c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007262
FYIcenter.com

 22 26  0  0  0  0  0  0  0  0999 V2000
    4.8233    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    4.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    6.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    6.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    4.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0074    2.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2062    1.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    4.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    6.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    6.9619    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  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  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007262-3D
FYIcenter.com

 36 40  0     0  0  0  0  0  0999 V2000
    0.7358    0.7407   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7358    0.7410    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704    1.9839   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701    1.9841    0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373   -0.3835    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6376   -0.3829   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081   -0.2891   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -0.2888    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656    3.1801   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650    3.1803    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    2.0552   -0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7246    2.0555    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5215    0.9210   -0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.9212    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -1.5843    0.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2706   -1.5832   -0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8770   -1.3857   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8767   -1.3857    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425   -2.6655    0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -2.6646   -0.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422   -2.5750    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424   -2.5747   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1602    4.1377   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594    4.1380    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1865    3.0080   -0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1855    3.0081    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5693    1.0192   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5682    1.0193    0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819   -1.6917    1.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -1.6902   -1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9180   -1.3106   -0.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9173   -1.3110    0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -3.5696    1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035   -3.5684   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1266   -3.4096    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1266   -3.4095   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  1  0  0  0  0
  7 17  2  0  0  0  0
  8 14  1  0  0  0  0
  8 18  2  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1212👍, 0💬