Molecule FYI-1002044

Home > Molecule

A

Molecule Summary:

ID: FYI-1002044
Names:
InChIKey: STGXUBIZGYMIRM-UHFFFAOYSA-N
SMILES: C=CC(=O)OCC1(CC)COCOC1

Received at FYIcenter.com on: 2023-01-22

Molecule ID: FYI-1002044 Edit

Molecule Structure InChIKey: STGXUBIZGYMIRM-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCC1(CC)COCOC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002044
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   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
    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 O   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
    1.2125    0.0000    0.0000 O   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   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
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002044-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    2.7702   -0.7491    1.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956   -1.7756   -0.7941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790    0.1012   -0.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300   -0.5325    1.5277 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1788    0.5238   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9297    1.9056   -0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    0.5621    0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065   -0.5179   -1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    0.1172    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488    2.9511    0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639   -1.6329    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643   -0.2423    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4234   -0.2058   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840   -0.5050   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529    1.8981   -1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812    2.1932   -1.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2948    0.9833    0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745    1.1605    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5049   -0.6805   -1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -0.1887   -2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2088    0.7858    1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -0.8896    1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    2.7862    0.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245    3.0683    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982    3.9253   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8142   -1.3046   -0.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081   -2.6188    0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615    0.0661   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4612   -0.4778   -1.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9762   -0.7804    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  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 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
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-22, 4465👍, 0💬