Molecule FYI-1007127

Home > Molecule

A

Molecule Summary:

ID: FYI-1007127
Names:
InChIKey: VCMCXFKFKPJYQZ-UHFFFAOYSA-N
SMILES: CCOCC1CCOC1

Received at FYIcenter.com on: 2024-02-02

Molecule ID: FYI-1007127 Edit

Molecule Structure InChIKey: VCMCXFKFKPJYQZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCC1CCOC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007127
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626    4.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.3718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    1.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046    0.0000    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
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007127-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
   -2.5271   -1.1201    0.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663   -0.0618   -0.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    0.3110   -0.3243 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8832    1.1589    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0983   -1.0457    0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0295    0.1966   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6326    0.8168    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    0.3599    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9922   -0.6156   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.2365   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9774    2.0760   -0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8367    1.4354    1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -1.8748   -0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.1570    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8882    0.4040    0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621    0.2180   -1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    1.8236   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6082    0.8658    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624    1.3624   -0.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286    0.3885    1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745   -1.6259    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0056   -0.6656   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9847   -0.3207    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 470👍, 0💬