Molecule FYI-1010679

Home > Molecule

A

Molecule Summary:

ID: FYI-1010679
Names:
InChIKey: WATIARBIFSKYKC-UHFFFAOYSA-N
SMILES: OCc1cccc2OCCOc12

Received at FYIcenter.com on: 2024-07-02

Molecule ID: FYI-1010679 Edit

Molecule Structure InChIKey: WATIARBIFSKYKC-UHFFFAOYSA-N

Molecule Structure SMILES String: OCc1cccc2OCCOc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1010679
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010679-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -0.4820   -1.5818   -0.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246    0.5970    0.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173   -1.6320    0.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -0.2750   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710    0.7799    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852   -0.0192   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118   -1.7646    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -0.6918   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940    2.0858    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    1.2887   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2579   -1.1260   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    2.3389    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834   -1.7465    1.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1511   -2.7557   -0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -0.6824   -1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7573   -0.8606    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790    2.9108    0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206    1.5039   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216   -1.9455   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1256   -0.7701   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450    3.3558    0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9405   -1.8554    1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-15, 1114👍, 0💬