Molecule FYI-1006313

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Molecule Summary:

ID: FYI-1006313
Names:
InChIKey: XCRXZQHNUPGDNA-UHFFFAOYSA-N
SMILES: C=C(C)C(CCC)CCO

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006313 Edit

Molecule Structure InChIKey: XCRXZQHNUPGDNA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(CCC)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006313
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.1770    2.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508    2.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4298    3.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3620    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
  4 10  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006313-3D
FYIcenter.com

 28 27  0     1  0  0  0  0  0999 V2000
   -3.6474    1.1820    0.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0121    0.2012   -0.3289 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2490    0.9289    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    0.9369    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5545    0.3871   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0201   -1.2879   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726    0.4203   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7604    1.1467    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209   -1.7061    1.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260   -2.2091   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0121    0.3219   -1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    0.8774    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1737    1.9949   -0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3166    0.8920    1.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    2.0072   -0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6768   -0.6732   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    0.4682   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5769    0.5287   -1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422   -0.6295   -0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984    2.2095   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    1.0573    1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6819    0.7467   -0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -1.3351    1.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0271   -2.7962    1.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9071   -1.3247    1.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254   -1.9233   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316   -3.2709   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4660    0.8371   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
$$$$

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2023-12-17, 752👍, 0💬