Molecule FYI-1006981

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A

Molecule Summary:

ID: FYI-1006981
Names:
InChIKey: NLHCAGKOLUBCBZ-UHFFFAOYSA-N
SMILES: C=CC1CC=CSS1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006981 Edit

Molecule Structure InChIKey: NLHCAGKOLUBCBZ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC1CC=CSS1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006981
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    0.0000    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  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006981-3D
FYIcenter.com

 16 16  0     1  0  0  0  0  0999 V2000
    0.1361   -1.4003   -0.6619 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -1.3911    0.4282 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7016   -0.0037    0.1455 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0567    1.2972   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612    1.2847   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224    0.0557   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.2406    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1797   -0.0830    0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -0.1763    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221    2.0875    0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821    1.6262   -1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0336    2.2566   -0.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3085    0.2340   -1.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4429    0.4265    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1865   -0.0239    0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0637   -0.2567    1.5528 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
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1343👍, 0💬