Molecule FYI-1004203

Home > Molecule

A

Molecule Summary:

ID: FYI-1004203
Names:
InChIKey: DNVIZCLYSNCBKS-UHFFFAOYSA-N
SMILES: OC1CC(O)C(O)C1O

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004203 Edit

Molecule Structure InChIKey: DNVIZCLYSNCBKS-UHFFFAOYSA-N

Molecule Structure SMILES String: OC1CC(O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004203
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.3589    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    4.9013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2389    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  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004203-3D
FYIcenter.com

 19 19  0     1  0  0  0  0  0999 V2000
   -1.3510   -1.7177   -0.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275   -1.7319    0.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758    0.9787    0.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632    1.1969   -0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -0.7687    0.1254 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8045   -0.7581   -0.1180 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1135    0.6520   -0.2298 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2594    0.6553    0.2665 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0138    1.4936    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580   -1.0127    1.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0496   -1.0041   -1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    0.8027   -1.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527    0.6740    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0539    2.4803   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2396    1.6541    1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -2.5903   -0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288   -1.5170    1.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0222    0.3476   -0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    2.0974   -0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1874👍, 0💬