Molecule FYI-1005389

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Molecule Summary:

ID: FYI-1005389
Names:
InChIKey: SYWDWCWQXBUCOP-UHFFFAOYSA-N
SMILES: C=C.c1ccccc1

Received at FYIcenter.com on: 2023-10-27

Molecule ID: FYI-1005389 Edit

Molecule Structure InChIKey: SYWDWCWQXBUCOP-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C.c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005389
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.1879    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.0894    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  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
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005389-3D
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.8193    0.3146   -1.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.4940   -1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110   -0.4984    1.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756   -1.5160    1.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -1.2076    0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176    0.1186    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    1.1371    0.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871    0.8286    1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7633    0.5042   -2.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137   -0.0238   -1.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8551    0.8338   -1.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    0.3061   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644   -0.7371    2.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640   -2.5473    1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9025   -2.0000    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626    0.3594   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526    2.1715    0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9101    1.6235    1.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  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  8  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2023-11-02, 1729👍, 0💬