Molecule FYI-1003043

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A

Molecule Summary:

ID: FYI-1003043
Names:
InChIKey: XYKJVHTUQQONLW-UHFFFAOYSA-N
SMILES: CCC(C)CCC1CCCCC1

Received at FYIcenter.com on: 2023-05-08

Molecule ID: FYI-1003043 Edit

Molecule Structure InChIKey: XYKJVHTUQQONLW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)CCC1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003043
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    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
    2.4248    1.4000    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
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4615    3.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125    2.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003043-3D
FYIcenter.com

 36 36  0     1  0  0  0  0  0999 V2000
   -0.9829    0.3162   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701   -1.0367   -0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887    1.0067    0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290    0.1409    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0021   -0.8944   -1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3203    1.1454    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974   -0.2000    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3537   -0.5120   -0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8249   -0.6643   -0.1025 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5420    0.6687    0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -1.5906    1.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5574    1.6201   -1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284    0.9608   -0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -1.7383    0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909   -1.4874   -1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    2.0011    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.4337    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209    1.1239    0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -0.4663    1.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -1.8841   -1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -0.3198   -1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3374    1.8380   -0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9506    1.5843    1.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8972   -0.0543   -0.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -0.8441    0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -1.5236   -0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3101    0.0472   -1.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3533   -1.1521   -0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826    0.4561    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940    1.1740    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0080   -1.8130    1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340   -1.1381    2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434   -2.5427    0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683    1.1328   -1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    2.4917   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535    1.9855   -1.2408 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  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  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
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
M  END
$$$$

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2023-05-31, 1676👍, 0💬