Molecule FYI-1007110

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Molecule Summary:

ID: FYI-1007110
Names:
InChIKey: VUFKMYLDDDNUJS-UHFFFAOYSA-N
SMILES: CCOCC1CCCO1

Received at FYIcenter.com on: 2024-01-31

Molecule ID: FYI-1007110 Edit

Molecule Structure InChIKey: VUFKMYLDDDNUJS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCC1CCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007110
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    7.0656    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    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  1  0  0  0  0
  4  3  1  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007110-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
   -0.9913   -1.0263    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6365   -0.0348   -0.2136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7181    0.3315   -0.3844 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9256    1.1453    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0432    0.1520   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924   -1.1424    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809    0.7943    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    0.3501    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666   -0.5697   -0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    0.3286   -1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511    2.0617   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585    1.4182    1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9480    0.3886    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3079    0.0957   -1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969   -1.2915    1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8041   -2.0153   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    0.7101    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816    1.8375   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139    1.3849    0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426    0.2778    1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -0.3012    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -1.6106    0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159   -0.5187   -1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$

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