Molecule FYI-1012539

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A

Molecule Summary:

ID: FYI-1012539
Names: PENTANOL;
InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
SMILES: CCCCCO

Received at FYIcenter.com on: 2024-09-19

Molecule ID: FYI-1012539 Edit

Molecule Names: PENTANOL;

Molecule Structure InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012539
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  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 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012539-3D
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
    3.0664    0.2470   -0.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6349   -0.3969    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762    0.3859    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8422    0.5402    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838   -0.5404   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1493   -0.2359   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790   -1.0344    0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700   -1.0597   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330    1.0406    0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7134    1.0511   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8261    1.1891    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    1.1904   -0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805   -1.1880   -0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095   -1.1718    0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2109   -0.8695   -0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449   -0.8746    0.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9992    0.4536   -0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0506    0.7804   -0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  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 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
M  END
$$$$

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2024-10-14, 1147👍, 0💬