Molecule FYI-1004687

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Molecule Summary:

ID: FYI-1004687
Names:
InChIKey: WWGUMAYGTYQSGA-UHFFFAOYSA-N
SMILES: Cc2cc1ccccc1cc2C

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004687 Edit

Molecule Structure InChIKey: WWGUMAYGTYQSGA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc1ccccc1cc2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004687
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    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
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004687-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    0.6190    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -0.7076    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137    0.6958    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136   -0.6959    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6061    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6060   -1.3944    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440    1.3944   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -1.3944    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951    1.4635    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950   -1.4636   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517    0.6959   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    2.4832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -2.4831    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    2.4822   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683   -2.4822    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9210    2.5452   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    1.2326    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6839    1.2316   -0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6843   -1.2315    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -2.5454    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6825   -1.2330   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9922    1.2391   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9923   -1.2390   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2023-09-25, 592👍, 0💬