Molecule FYI-1014449

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A

Molecule Summary:

ID: FYI-1014449
Names:
InChIKey: AQSXBQILYAXSST-UHFFFAOYSA-N
SMILES: Cc2cc(C)c([P+](=O)c1ccccc1)c(C)c2

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

Molecule ID: FYI-1014449 Edit

Molecule Structure InChIKey: AQSXBQILYAXSST-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014449
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.5681    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681    2.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    2.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    2.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    4.0609    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    5.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212    4.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0423    3.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6040    4.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7743    5.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    5.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5532    6.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    4.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    1.8094    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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014449-3D
FYIcenter.com

 34 35  0     1  0  0  0  0  0999 V2000
   -0.5882    1.5717   -0.0745 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7560    2.5274    1.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208    0.6426    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244   -0.0991    1.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036    0.6540   -1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940   -0.8186    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076    0.3834   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   -0.8298    1.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902   -0.0766   -1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2940   -0.1252    2.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.4410   -2.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5626   -1.5998    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8504   -0.6380   -1.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9996    0.4735    0.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853   -1.5694   -1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0345   -0.4579    0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9773   -1.4793   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    2.1942   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513   -1.4119    2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   -0.0726   -1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173    0.8774    2.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -0.6078    2.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187   -0.7052    3.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5812    1.0790   -2.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012    2.5054   -2.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2984    1.3531   -3.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010   -2.6115   -0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3524   -1.1219   -0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306   -1.6703    1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -0.7156   -1.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575    1.2634    1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -2.3638   -1.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8848   -0.3879    1.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   -2.2042   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 121👍, 0💬