Molecule FYI-1006944

A

Molecule Summary:

ID: FYI-1006944
Names:
InChIKey: PHWISBHSBNDZDX-LSDHHAIUSA-N
SMILES: C=C1C=C[C@@H]([C@@H](C)CC/C=C(C)/C)CC1

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006944 Edit

Molecule Structure InChIKey: PHWISBHSBNDZDX-LSDHHAIUSA-N

Molecule Structure SMILES String: C=C1C=C[C@@H]([C@@H](C)CC/C=C(C)/C)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006944
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    7.2746    1.4000    0.0000 C   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
    9.6994    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
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 15  1  6  0  0  0
  3  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006944-3D
FYIcenter.com

 39 39  0     1  0  0  0  0  0999 V2000
   -0.5730    0.1420   -0.1181 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2990    1.3180   -0.5585 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4659    0.5602    1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1319    1.8970    0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493   -0.4829    1.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898   -0.3868   -1.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    2.4163   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425    0.9289    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3770   -0.7593    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6696   -0.7712   -1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    0.3816    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6967   -0.9889    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -0.9057   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -1.2498   -1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7763   -2.0994    0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718   -0.6841    0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9779    0.9819   -1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9672    1.5187    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669    0.6691    1.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    2.3116    1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936    2.7595    0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1791   -0.1352    2.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0768   -1.4182    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9086   -0.4704   -2.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2177    2.9154   -0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0554    3.1993   -1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164    2.0647   -1.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081    0.1434    1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122    1.4773    1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2010   -1.1162   -2.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696    1.1486   -0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2173   -0.9825    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2901   -1.1893   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624   -0.3603   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2460   -1.8269   -0.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9669   -1.8488   -1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5513   -2.7370    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810   -1.8443    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244   -2.6892   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 30  1  0  0  0  0
 11 13  2  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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