Molecule FYI-1003470

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A

Molecule Summary:

ID: FYI-1003470
Names:
InChIKey: CMSMOCZEIVJLDB-UHFFFAOYSA-N
SMILES: O=P1(N(CCCl)CCCl)NCCCO1

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003470 Edit

Molecule Structure InChIKey: CMSMOCZEIVJLDB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=P1(N(CCCl)CCCl)NCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003470
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  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  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003470-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
    3.2423    2.7414   -0.4539 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0499   -3.1090   -0.0006 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722    0.4645    0.7312 P   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7990   -0.8388    1.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506    1.1309    2.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -0.0904   -0.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290    1.4085   -0.2565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    0.7183   -1.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3865   -0.4345   -0.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107   -1.4543   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589    0.9219   -0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035   -1.1597    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951    1.4935    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716   -1.7924   -0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670    0.3475   -2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370    1.4308   -1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1240   -0.0277   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9382   -0.9319   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    2.2574   -0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -2.2474    0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954   -1.9201   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6466    1.7320   -1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8009    0.5461   -1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273   -1.9404    0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.8455    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    1.9785    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.7623    0.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683   -2.2161   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.1121   -1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  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 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 577👍, 0💬