Molecule Editor

Molecule ID: FYI-1014448 Edit

Molecule Structure InChIKey: FNBNJFFUNDJRAY-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014448
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.5651    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651    2.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943    2.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234    2.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943    4.0562    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943    5.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    4.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926    5.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    5.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910    6.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5419    8.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    7.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    6.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653    4.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    6.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    9.4630    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
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014448-3D
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    2.1530    2.0378    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836    0.9818   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -0.3726   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998   -1.3676   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8747   -2.7980   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746   -0.9989    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877   -2.0480    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4967   -2.3737    1.8131 P   0  3  3  0  0  0  0  0  0  0  0  0
   -2.9188   -1.0564    2.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644   -3.1863    1.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3892   -4.3492    0.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6287   -5.0078    1.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6638   -4.5189    1.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4684   -3.3636    2.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334   -2.7072    2.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880    0.3873   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910    0.9485   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2571    1.3514   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    1.6004   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1006    2.5954    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297    2.7340   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509   -0.6618   -0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -2.8547   -0.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180   -3.3372   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -3.3024    0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7522   -2.9757   -0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -1.7265   -0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6029   -4.7761    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7837   -5.9168    0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6156   -5.0442    1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2677   -2.9739    3.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -1.8120    3.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765    0.1943   -0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8265    1.5990   -0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521    1.5376    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    2.4086    0.0038 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
  7 26  1  0  0  0  0
  7 27  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 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$