Molecule FYI-1006884

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Molecule Summary:

ID: FYI-1006884
Names:
InChIKey: UBAXRAHSPKWNCX-UHFFFAOYSA-N
SMILES: C=CCSSSCC=C

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006884 Edit

Molecule Structure InChIKey: UBAXRAHSPKWNCX-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCSSSCC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006884
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006884-3D
FYIcenter.com

 19 18  0     0  0  0  0  0  0999 V2000
   -1.3801   -0.3272    0.8717 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -0.3267   -0.8714 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -1.5740   -0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729   -0.1033   -0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731   -0.1036    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.7944   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835    0.7943    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9679    0.4231    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    0.4231   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    0.3555   -1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9580   -1.0816   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0743    0.3546    1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9582   -1.0822    0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4314    1.8167    0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4314    1.8167   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7307    1.1255    0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2803   -0.5789   -0.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7307    1.1257   -0.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2806   -0.5791    0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1252👍, 0💬