Molecule FYI-1005085

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A

Molecule Summary:

ID: FYI-1005085
Names:
InChIKey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N
SMILES: CCCC(O)CC

Received at FYIcenter.com on: 2023-10-12

Molecule ID: FYI-1005085 Edit

Molecule Structure InChIKey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(O)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005085
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005085-3D
FYIcenter.com

 21 20  0     1  0  0  0  0  0999 V2000
    0.4081    1.8296   -0.1071 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396    0.4794    0.2978 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5318   -0.3801   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9921    0.0367   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810    0.1250    0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040   -1.3671    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310   -0.7236   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    0.4634    1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957   -1.4212    0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5568   -0.3648   -1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765    0.1102   -1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7646    0.7435    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0471    1.1635    0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8837    0.1059    1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456   -2.1240   -0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209   -1.5766   -0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887   -1.4773    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0751   -0.6974   -1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9227   -1.7663    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9837   -0.3492    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1297    2.3723    0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  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
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
$$$$

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2023-10-27, 2278👍, 0💬