Molecule FYI-1008769

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A

Molecule Summary:

ID: FYI-1008769
Names:
InChIKey: FRWFPUFMCSOYSG-UHFFFAOYSA-N
SMILES: N=S1(=O)CCCC2(C1)OCCO2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008769 Edit

Molecule Structure InChIKey: FRWFPUFMCSOYSG-UHFFFAOYSA-N

Molecule Structure SMILES String: N=S1(=O)CCCC2(C1)OCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008769
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.2482    5.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    4.0479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560    5.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    3.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  2  1  0  0  0  0
  9  7  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-1008769-3D
FYIcenter.com

 25 26  0     1  0  0  0  0  0999 V2000
   -1.8542   -0.6020   -0.0858 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.1630   -0.1381   -1.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9367   -0.0888    1.1733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406   -0.8314   -1.5036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9374   -1.3026    0.7663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885    0.1210    0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2979   -0.8673    0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    1.5848    0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    1.9493   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035    1.1491    0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867   -0.2185   -1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   -0.7556    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -1.8968    0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789   -0.7996    1.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796    2.2378    0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    1.8115    1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992    3.0169   -0.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7050    1.7968   -1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221    1.3311    1.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816    1.4265   -0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    0.7921   -1.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469   -0.8608   -1.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994   -1.8328    0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069   -0.5463    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7723   -2.3035    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1651👍, 0💬