Molecule FYI-1005919

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A

Molecule Summary:

ID: FYI-1005919
Names:
InChIKey: OWRFQJIVABNBMF-UHFFFAOYSA-N
SMILES: CCOP(C)(=O)SOCCN1CCCCC1

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

Molecule ID: FYI-1005919 Edit

Molecule Structure InChIKey: OWRFQJIVABNBMF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(C)(=O)SOCCN1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005919
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   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
  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 12  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
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005919-3D
FYIcenter.com

 38 38  0  0  0  0  0  0  0  0999 V2000
    1.2577   -1.2402    0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206   -1.4629    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5274   -1.0836    1.3369 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113    0.1204    1.3438 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.2490    1.1943   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5502    0.8730    2.6446 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5790   -0.5908    1.0146 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3732    0.8773    0.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8001    0.8121    0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3829    2.2439    0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8561    2.3345    0.8496 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2876    3.7460    0.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8010    3.8819    0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5826    3.0784    1.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0812    1.6419    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5639    1.5812    1.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997   -1.7161   -0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0176   -0.1702    0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107   -1.6404    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9809   -0.9337   -0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829   -2.5335    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2001    1.4939   -0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4964    0.7081   -0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    2.0940    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1898    0.2901    0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0813    0.2590    1.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520    2.7242    1.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9151    2.8157    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0111    4.2353    1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7857    4.2917    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0939    4.9364    0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0634    3.5344   -0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4626    3.5336    2.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6526    3.0983    1.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5778    1.0952    2.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3518    1.1392    0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3005    1.9608    2.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2824    0.5241    1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 300👍, 0💬