Molecule FYI-1004207

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A

Molecule Summary:

ID: FYI-1004207
Names:
InChIKey: NQYLXGZWPZIHHW-HYXAFXHYSA-N
SMILES: O=C1CCC/C=C\\C2OC12

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004207 Edit

Molecule Structure InChIKey: NQYLXGZWPZIHHW-HYXAFXHYSA-N

Molecule Structure SMILES String: O=C1CCC/C=C\C2OC12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004207
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.8820    4.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700    4.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808    3.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5635    2.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7111    1.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297    3.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 10  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004207-3D
FYIcenter.com

 20 21  0     1  0  0  0  0  0999 V2000
    2.2684    0.2782   -0.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701   -1.7157    1.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -0.3395   -0.7720 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1957    1.1448   -0.4791 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3655   -1.2687    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0001   -1.5790   -0.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    1.7291    0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0903   -0.6526    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9099    0.8141   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0567    1.5892    0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673   -0.6457   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060    1.8045   -1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605   -1.5363   -1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363   -2.6176   -0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    2.3310    1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580   -0.7422    1.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480   -1.0040   -0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951    1.2975   -0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243    0.8912   -1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5794    2.0764    1.3892 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  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-09-10, 1819👍, 0💬