Molecule FYI-1007209

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Molecule Summary:

ID: FYI-1007209
Names:
InChIKey: JCAIBTLLMPPCQU-UHFFFAOYSA-N
SMILES: C1=CSCCO1

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007209 Edit

Molecule Structure InChIKey: JCAIBTLLMPPCQU-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=CSCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007209
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 S   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
    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 O   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007209-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    1.7071   -0.0269   -0.1593 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4455    0.0307    0.0827 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735   -1.3466    0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582   -1.1482   -0.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255    1.3114   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7023    1.1796    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527   -1.3008    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124   -2.3128    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518   -1.1279   -1.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142   -1.9938   -0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624    2.3041   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3533    2.0332    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1492👍, 0💬