Molecule Editor

Molecule ID: FYI-1016189 Edit

Molecule Structure InChIKey: MRJSUROCCFYTLJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C(=O)NN)P(=O)(c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016189
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0416    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500    1.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    3.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500    4.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2468    3.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333    1.3953    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9287    3.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0416    4.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333    5.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810    3.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    4.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016189-3D
FYIcenter.com

 40 41  0     1  0  0  0  0  0999 V2000
    0.2493   -0.1621   -0.7519 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100   -0.4616   -2.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100   -1.7439   -1.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435   -1.3015    0.9533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2179   -1.2830    0.8353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -1.5232    0.1256 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0230   -2.8862   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5606    1.3335   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -0.0787   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753   -1.5402   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799   -4.0158    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206    1.6518    1.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939   -0.5706    1.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260    2.1713   -1.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    0.4774   -1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560    2.8260    1.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231   -0.5052    1.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613    3.3455   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291    0.5425   -0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    3.6728    0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906    0.0512    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528   -1.3570    1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1049   -2.8737   -0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -3.8249    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6425   -4.1564    0.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1834    1.0012    1.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661   -0.9946    1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0805    1.9271   -2.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    0.8642   -2.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437   -1.1331    1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074    3.0805    2.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9043   -0.8843    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    4.0051   -1.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9824    0.9767   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    4.5869    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6253    0.1031    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5822   -1.9479    1.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5287   -0.3633    1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 32  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  2  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
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 18 20  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
$$$$