Molecule FYI-1003854

A

Molecule Summary:

ID: FYI-1003854
Names:
InChIKey: AZSKHRTUXHLAHS-UHFFFAOYSA-N
SMILES: CC(C)(C)c3ccc(OP(=O)(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c3

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003854 Edit

Molecule Structure InChIKey: AZSKHRTUXHLAHS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c3ccc(OP(=O)(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003854
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    9.8871   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    8.7248    0.0000 C   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 12  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 30  1  0  0  0  0
 36 33  1  0  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
 39 36  1  0  0  0  0
 40 31  1  0  0  0  0
 41 40  1  0  0  0  0
 42 40  1  0  0  0  0
 43 40  1  0  0  0  0
 44  7  1  0  0  0  0
 45 44  1  0  0  0  0
 46 44  1  0  0  0  0
 47 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003854-3D
FYIcenter.com

110112  0     0  0  0  0  0  0999 V2000
    0.0641   -0.0820   -0.7837 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564   -1.4142   -0.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060    0.0513   -0.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8004    1.1063   -0.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -0.0733   -2.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8206   -2.8687    1.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9388    0.5570    1.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    2.9608    1.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8151   -3.2736   -0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7571   -3.5980   -0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2284    6.6133   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4882   -2.5839    0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7494   -0.6209    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680    3.3857    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4252   -2.7853   -0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6373   -2.6300   -0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570    5.1141   -0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7881   -3.0415    0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -1.5254    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102    4.7460    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8311   -1.8721   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454   -0.8251   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639    2.4387   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4986   -3.6998    1.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325   -1.5490    2.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7572   -3.6788    2.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9094    0.5450    2.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3669    0.5647    1.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    1.9539    0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6104    2.1108    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188    2.0858    2.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2565    4.1941    1.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -2.0715   -1.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288   -2.8302   -1.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    4.2125   -1.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8779   -4.2435   -2.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7901   -2.0903   -1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4576   -4.0606    0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630   -3.2718    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951   -3.6822   -2.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3434   -5.0335   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209    6.9787   -2.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6524    6.9380   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461    7.5361   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4626   -1.6140   -1.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3805   -1.9258   -1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4977    2.8523   -1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3213   -3.5965    1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7419   -1.3925    0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7171    5.4947    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -3.1727    1.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6783   -4.6465    1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1039   -3.9341    2.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -0.9905    2.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0686   -1.7599    3.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.8983    2.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0119   -4.6648    2.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6728   -3.1295    3.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2554   -3.8683    3.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343   -0.4157    3.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1412    1.3282    3.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8794    0.7159    2.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4845    1.4290    2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5522   -0.3171    2.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1546    0.6588    1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550    2.1283    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4329    2.0326   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    2.7689    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318    1.1466    0.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4530    1.9013    1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9991    2.6467   -0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738    2.6291    3.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486    1.8286    3.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578    1.1529    2.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0824    3.8625    2.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097    4.8040    2.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7113    4.8211    1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2344   -1.8603   -2.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769   -3.6822   -1.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859    4.5108   -1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8937   -4.6258   -2.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5739   -3.7511   -3.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2140   -5.1029   -2.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5102   -1.5414   -2.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8174   -2.4453   -1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7923   -1.3760   -0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4762   -4.3843   -0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8873   -4.9655    0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5325   -3.4402    1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4872   -2.3054   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8833   -3.2616    1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8359   -4.0277   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0371   -4.3718   -2.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837   -4.0373   -2.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5052   -2.6980   -2.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0307   -5.0366    0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5098   -5.4244   -0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1748   -5.7400   -0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2776    8.0526   -2.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8644    6.4573   -2.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693    6.7260   -2.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    6.4157   -0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8649    8.0104   -0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7744    6.6554    0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7832    7.4095   -0.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973    7.3793    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940    8.5905   -0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9895   -1.0775   -2.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4624   -2.1285   -1.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486    2.1581   -1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 14  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 15  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 16  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 17  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 18  1  0  0  0  0
 12 21  2  0  0  0  0
 13 19  1  0  0  0  0
 13 22  2  0  0  0  0
 14 20  1  0  0  0  0
 14 23  2  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 32 77  1  0  0  0  0
 33 45  2  0  0  0  0
 33 78  1  0  0  0  0
 34 46  2  0  0  0  0
 34 79  1  0  0  0  0
 35 47  2  0  0  0  0
 35 80  1  0  0  0  0
 36 81  1  0  0  0  0
 36 82  1  0  0  0  0
 36 83  1  0  0  0  0
 37 84  1  0  0  0  0
 37 85  1  0  0  0  0
 37 86  1  0  0  0  0
 38 87  1  0  0  0  0
 38 88  1  0  0  0  0
 38 89  1  0  0  0  0
 39 90  1  0  0  0  0
 39 91  1  0  0  0  0
 39 92  1  0  0  0  0
 40 93  1  0  0  0  0
 40 94  1  0  0  0  0
 40 95  1  0  0  0  0
 41 96  1  0  0  0  0
 41 97  1  0  0  0  0
 41 98  1  0  0  0  0
 42 99  1  0  0  0  0
 42100  1  0  0  0  0
 42101  1  0  0  0  0
 43102  1  0  0  0  0
 43103  1  0  0  0  0
 43104  1  0  0  0  0
 44105  1  0  0  0  0
 44106  1  0  0  0  0
 44107  1  0  0  0  0
 45108  1  0  0  0  0
 46109  1  0  0  0  0
 47110  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1911👍, 0💬