Molecule FYI-1003235

Home > Molecule

A

Molecule Summary:

ID: FYI-1003235
Names:
InChIKey: VOITXYVAKOUIBA-UHFFFAOYSA-N
SMILES: CC[Al](CC)CC

Received at FYIcenter.com on: 2023-05-26

Molecule ID: FYI-1003235 Edit

Molecule Structure InChIKey: VOITXYVAKOUIBA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC[Al](CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003235
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 Al  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
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003235-3D
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    2.2749    0.3831   -1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331   -0.0768   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696    1.4320    1.0997 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.8075    2.4757    2.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883    2.7286    1.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0291    1.6129    1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7411    1.9760    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9331   -0.4658   -2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463    0.7503   -1.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    1.1985   -1.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1801   -0.8987    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607   -0.4490    0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915    3.4465    2.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6254    1.9222    3.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6626    3.2850    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761    3.3345    2.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165    1.7663    1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4265    0.6522    1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    2.4096    2.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5928    1.1783   -0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8272    2.0855    0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3512    2.9387   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 414👍, 0💬