Molecule FYI-1001010

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A

Molecule Summary:

ID: FYI-1001010
SMILES: O=C1C2CCSCC3(COC13O)O2

Received at FYIcenter.com on: 2021-10-06

Molecule ID: FYI-1001010 Edit

Molecule Structure SMILES String: O=C1C2CCSCC3(COC13O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001010
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    5.8902    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    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  3  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
  9  8  1  0  0  0  0
  9  5  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
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 17  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001010-3D
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
    0.9291   -0.3909   -0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051   -0.1446    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -1.1945    0.3510 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8787   -1.9098    1.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478   -2.0494    2.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1894   -0.5606    3.6362 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8695    0.6126    2.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1600    0.8252    1.1319 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1150    2.3929    1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6222    2.3433    0.9373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696    1.2060    0.1164 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2601    1.5836   -1.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4510   -0.3969    0.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775   -1.8816   -0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857   -2.9040    1.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396   -1.4177    2.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921   -2.2838    2.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8574   -2.8776    3.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8938    0.2763    2.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    1.5256    3.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6013    2.9066    0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3314    2.9805    1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002    1.7816   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1312👍, 0💬