Molecule FYI-1008065

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A

Molecule Summary:

ID: FYI-1008065
Names:
InChIKey: RADHNOYIKKYHMV-JXGYXAOLSA-N
SMILES: C2=CCCC(c1ccccc1)=C2.C=C/C=C\\C=C

Received at FYIcenter.com on: 2024-04-10

Molecule ID: FYI-1008065 Edit

Molecule Structure InChIKey: RADHNOYIKKYHMV-JXGYXAOLSA-N

Molecule Structure SMILES String: C2=CCCC(c1ccccc1)=C2.C=C/C=C\C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008065
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   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
  6  1  1  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008065-3D
FYIcenter.com

 38 38  0  0  0  0  0  0  0  0999 V2000
    0.3696    1.0603    1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777   -0.1383    1.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189   -1.4293    1.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2536   -1.2968    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6735    0.1024    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448    0.2620   -0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3329    0.3454   -1.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6577    0.4703   -1.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6923    0.5192   -0.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4068    0.4501    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0860    0.3235    0.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972    1.1791    0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    0.0589   -1.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    0.0963   -1.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493   -0.9570   -0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.6862   -0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4413   -1.5832   -1.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5515   -2.3031   -2.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984    1.9737    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -0.1912    2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2995   -2.1518    1.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826   -1.8642    0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -1.6443    1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373   -1.9789   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335    0.3037   -2.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8845    0.5258   -2.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7229    0.6120   -1.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2077    0.4917    1.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8664    0.2706    1.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330    2.1810    0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321    0.8948   -2.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286   -0.7861   -1.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    0.9661   -1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0305   -1.1644    0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495   -2.4238   -0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1055   -0.9047   -2.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9247   -2.9949   -1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1146   -2.2058   -3.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1289👍, 0💬