Molecule FYI-1002129

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A

Molecule Summary:

ID: FYI-1002129
Names:
InChIKey: IZFHEQBZOYJLPK-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(S)CCS

Received at FYIcenter.com on: 2023-02-03

Molecule ID: FYI-1002129 Edit

Molecule Structure InChIKey: IZFHEQBZOYJLPK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(S)CCS

Download SDF Download SVG Structure in 2D SDF:

FYI-1002129
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  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  5  1  0  0  0  0
  8  7  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002129-3D
FYIcenter.com

 28 27  0     1  0  0  0  0  0999 V2000
   -2.1108   -2.5478   -0.5228 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4133    1.7997   -0.0997 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2459   -0.1468    0.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0173    1.4613   -0.7055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9714   -0.0550   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367   -0.8802    0.2289 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3579   -0.6993    0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446    0.1875   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5658   -0.2442   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -0.4024    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8279    1.1046    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0738    0.4226   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457    0.9102    0.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9400    0.1745   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -1.0433    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4936   -1.6758   -0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3611   -0.8603    1.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4268    1.1835    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445    0.3304   -1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5569   -0.1104   -1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3936   -0.9261    0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9993   -1.4058   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163   -0.4774    1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8548    0.9948    1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511    1.8314    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -2.1386   -1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3513    2.9210    0.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0209    0.3777    0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  3 12  1  0  0  0  0
  3 28  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 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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2023-03-17, 2650👍, 0💬