Molecule FYI-1003689

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Molecule Summary:

ID: FYI-1003689
Names:
InChIKey: NQUPKCJGWCPODR-UHFFFAOYSA-N
SMILES: CCCCCC(=O)OO

Received at FYIcenter.com on: 2023-07-19

Molecule ID: FYI-1003689 Edit

Molecule Structure InChIKey: NQUPKCJGWCPODR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)OO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003689
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003689-3D
FYIcenter.com

 21 20  0     0  0  0  0  0  0999 V2000
    2.7543   -0.8205   -0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640    1.3109   -0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944   -0.0618   -0.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982   -0.4503    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725    0.3112    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2896    0.5071    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4189   -0.6447    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6091   -0.2460   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378    0.0941   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1597   -1.1102    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -1.0894   -0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215    0.9402    0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215    0.9879   -0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2692    1.1322    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236    1.1794   -0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3701   -1.2714   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959   -1.2878    0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6747   -0.8548   -0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4474    0.4578   -0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7216   -0.9060    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1555   -0.1530   -0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

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2023-07-29, 1778👍, 0💬