Molecule FYI-1005918

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A

Molecule Summary:

ID: FYI-1005918
Names:
InChIKey: JJIUCEJQJXNMHV-UHFFFAOYSA-N
SMILES: CCOP(C)(=O)SCCN(C(C)C)C(C)C

Received at FYIcenter.com on: 2023-11-21

Molecule ID: FYI-1005918 Edit

Molecule Structure InChIKey: JJIUCEJQJXNMHV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(C)(=O)SCCN(C(C)C)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005918
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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
    2.4249    2.1000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  4  2  0  0  0  0
  7  4  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
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005918-3D
FYIcenter.com

 42 41  0     1  0  0  0  0  0999 V2000
   -1.3233   -1.3157   -0.7675 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069   -0.9700    0.2817 P   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4326    0.6152    0.3952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595   -1.6255    1.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881   -0.2785    0.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072   -0.5069   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1704    1.1514    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412   -0.8297   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192   -0.6384    0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635   -2.0069   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969    0.1626   -1.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418    1.6876    1.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855    1.9015   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4690   -1.6153   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381    1.4231   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8461    2.8454   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113   -0.1379    0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290    1.3300    1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2893   -0.4659   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722   -1.9156   -0.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582   -1.1262    1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967    0.4098    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236   -2.5246    0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273   -2.1876   -0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151   -2.4845   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5581   -0.4075   -2.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629    0.1038   -2.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899    1.1355   -1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3579    1.0496    2.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438    2.6792    2.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    1.8219    1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374    2.7762   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149    2.4206   -0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    1.4778   -1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4235   -1.3604   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3986   -2.7051   -0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4619   -1.2180   -1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968    1.3946   -1.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3407    1.0499   -1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9348    3.4984   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7808    2.8868    0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582    3.2344    0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  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
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  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
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1107👍, 0💬