Molecule FYI-1007625

A

Molecule Summary:

ID: FYI-1007625
Names:
InChIKey: FUCYIEXQVQJBKY-UKRRQHHQSA-N
SMILES: CC2=C[C@H]1C(=C(C)CC[C@@H]1C(C)C)CC2

Received at FYIcenter.com on: 2024-03-06

Molecule ID: FYI-1007625 Edit

Molecule Structure InChIKey: FUCYIEXQVQJBKY-UKRRQHHQSA-N

Molecule Structure SMILES String: CC2=C[C@H]1C(=C(C)CC[C@@H]1C(C)C)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007625
FYIcenter.com

 15 16  0  0  1  0  0  0  0  0999 V2000
    2.4249    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  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
  8  9  1  0  0  0  0
 10 13  1  1  0  0  0
 10  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007625-3D
FYIcenter.com

 39 40  0     1  0  0  0  0  0999 V2000
    1.3615   -0.2044    0.3640 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0349   -0.3351   -0.4331 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9940    1.1646    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    0.9305   -0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3731   -1.3013    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647    2.2879    0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3698    2.1105    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2315    0.6928   -0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7496   -1.5602    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9350   -0.3604   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -1.5770    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7362   -1.2256   -1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6178   -1.1781    0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940    3.3610    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -2.8052    0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -0.2777    1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -0.4703   -1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957    1.3139   -0.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    1.3011    0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9423   -2.2878    0.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573    3.2336    0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0839    2.3656    1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8456    1.5951   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    0.3398   -1.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1985   -2.4847    0.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -0.6560   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218    0.0725    0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2280   -0.2933   -1.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591   -2.0204   -1.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921   -1.4074   -2.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2668   -0.3480    0.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2230   -2.0879    0.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3587   -1.0655    1.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707    3.1917    0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    4.0920   -0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063    3.8101    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3122   -2.5983    1.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -3.6422    0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5348   -3.1267   -0.0404 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  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  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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2024-03-17, 186👍, 0💬