Molecule FYI-1003339

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A

Molecule Summary:

ID: FYI-1003339
Names:
InChIKey: YOMSJEATGXXYPX-UHFFFAOYSA-N
SMILES: C=Cc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2023-06-02

Molecule ID: FYI-1003339 Edit

Molecule Structure InChIKey: YOMSJEATGXXYPX-UHFFFAOYSA-N

Molecule Structure SMILES String: C=Cc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003339
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   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
    1.2125    6.3000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003339-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
   -2.2429   -1.0307   -0.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    1.7449   -0.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -0.1506    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1086   -0.2777   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -0.9106    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810    1.1151   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.2423    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.8752    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952   -0.8104    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817   -2.4475   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -0.3501   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463   -1.9899    0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185    1.8639    0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551    2.9611    0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101   -1.7801    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298   -2.7873    0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387   -2.8072   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -2.8860   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    2.7067   -0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629   -0.9381   -0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8319    0.5919   -0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2023-06-19, 1449👍, 0💬