Molecule FYI-1003233

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A

Molecule Summary:

ID: FYI-1003233
Names:
InChIKey: KJOVIRMWPFJSTR-UHFFFAOYSA-N
SMILES: CCC(C)OCC(C)O

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003233 Edit

Molecule Structure InChIKey: KJOVIRMWPFJSTR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)OCC(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003233
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150    2.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    1.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4456    2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6558    1.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9052    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0681    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290    3.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003233-3D
FYIcenter.com

 25 24  0     1  0  0  0  0  0999 V2000
   -0.2693    0.0601   -0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921   -0.5544    0.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457   -0.5309    0.3108 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6724    0.2178   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031   -0.5769    0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    0.1100   -0.3479 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4860   -2.0010   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6366    1.7000    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913    1.5754    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4235   -0.4416    1.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7218    0.1271   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867   -0.2270    0.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544   -1.6280   -0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386   -0.5377    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    0.0332   -1.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2239   -2.1433   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999   -2.6053    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4842   -2.4209    0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800    2.1999   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5771    1.8461    1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5456    2.1928   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0993    2.0396   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3288    2.1392   -0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    1.6809    1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622   -0.1196   -0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  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  8  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  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2041👍, 0💬