Molecule FYI-1002313

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A

Molecule Summary:

ID: FYI-1002313
Names:
InChIKey: SJTCPULGRKWPDM-UHFFFAOYSA-N
SMILES: C/C(C)=N\\OCCO

Received at FYIcenter.com on: 2023-02-25

Molecule ID: FYI-1002313 Edit

Molecule Structure InChIKey: SJTCPULGRKWPDM-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=N\OCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1002313
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   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
  2  4  2  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
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002313-3D
FYIcenter.com

 19 18  0     0  0  0  0  0  0999 V2000
    0.2275    0.2506   -0.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8254   -0.2414    0.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325   -0.6655   -0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4436   -0.4813   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    0.4919   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767   -0.0531   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3128   -0.7543    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813    1.4530    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922   -1.1256    0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4932   -1.1284   -0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5723    1.1588    0.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869    1.1203   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8787   -0.4597   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1679   -1.8377   -0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -0.4707    0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856    1.8383   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863    1.8326    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0112    1.8226    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393   -0.7648    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2023-03-17, 1657👍, 0💬