Molecule FYI-1014450

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A

Molecule Summary:

ID: FYI-1014450
Names:
InChIKey: BCXWZRRLPONLCI-UHFFFAOYSA-N
SMILES: Cc2cc(C)c(O[P+](=O)c1ccccc1)c(C)c2

Received at FYIcenter.com on: 2025-04-17

Molecule ID: FYI-1014450 Edit

Molecule Structure InChIKey: BCXWZRRLPONLCI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(C)c(O[P+](=O)c1ccccc1)c(C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014450
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6096    1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6096    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    3.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295    3.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    4.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8172    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2695    3.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    1.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2696    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7097    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7096    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4896    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  1 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014450-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.0919    2.0199    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    0.9266    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554   -0.4124    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130   -1.4548   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464   -2.8576   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621   -1.1382   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -2.0947   -0.2051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0909   -3.3393    0.8073 P   0  3  3  0  0  0  0  0  0  0  0  0
   -3.5411   -3.2097    0.9339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0520   -4.7333   -0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -5.9183   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3457   -7.0008   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0191   -6.9173   -2.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6954   -5.7458   -2.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114   -4.6640   -1.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2706    0.2132    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136    0.6450    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975    1.2301    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056    1.6137   -0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0338    2.5860    0.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9360    2.6963   -0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5174   -0.6521    0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273   -2.8666   -0.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887   -3.4069   -0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760   -3.3760    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320   -6.0213    0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8194   -7.9153   -0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -7.7629   -2.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2278   -5.6787   -3.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581   -3.7639   -1.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4141   -0.1932   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185    1.2665   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9212    1.2370    0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126    2.2728    0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1504👍, 0💬