Molecule FYI-1001020

Home > Molecule

A

Molecule Summary:

ID: FYI-1001020
SMILES: C([H])([H])([H])Oc1ccccc1O

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001020 Edit

Molecule Structure SMILES String: C([H])([H])([H])Oc1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001020
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001020-3D
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.0413   -0.1006    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722    0.3731    0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6462    0.3986   -0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778   -1.1326    0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4606   -0.1387    0.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1216    1.0611    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062    2.3165    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    3.4836   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6684    3.4068   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956    2.1622   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5226    1.0001   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1394   -0.2238   -0.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    2.4228    0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874    4.4543   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626    4.3169   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.1158   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0994   -0.0933   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1760👍, 0💬