Molecule FYI-1008948

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Molecule Summary:

ID: FYI-1008948
Names:
InChIKey: CYTOPYCKLXXIGN-UHFFFAOYSA-N
SMILES: NS(=O)(=O)Cc1ccco1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008948 Edit

Molecule Structure InChIKey: CYTOPYCKLXXIGN-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)Cc1ccco1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008948
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    5.8532    0.9834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3408    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 O   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  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008948-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -1.7727   -0.0842   -0.1996 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1123   -0.9344    0.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655    0.6190   -1.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094   -1.5223   -0.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334    0.3527    0.5594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218    0.6550    0.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    0.3745    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    1.1839    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.3167   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860   -0.9610   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155    1.7304    0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    0.2092    1.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899    2.2641   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280    0.5888   -0.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144    1.3405    0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4761   -0.1177    1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150   -1.9435   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1905👍, 0💬