Molecule FYI-1006455

A

Molecule Summary:

ID: FYI-1006455
Names:
InChIKey: WHIZJCXKTOWFAW-UHFFFAOYSA-N
SMILES: CC(C)(C)c3ccc(OP(=O)(Oc1ccccc1C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c3

Received at FYIcenter.com on: 2023-12-21

Molecule ID: FYI-1006455 Edit

Molecule Structure InChIKey: WHIZJCXKTOWFAW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c3ccc(OP(=O)(Oc1ccccc1C(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-1006455
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
   12.8244    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.4124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2995    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    7.5124    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 35  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  7  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006455-3D
FYIcenter.com

 98100  0     0  0  0  0  0  0999 V2000
    0.0142   -0.6906    1.2109 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191    0.6917    0.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4676   -1.0868    0.6994 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -1.7582    0.4484 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -0.6294    2.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397    2.2223   -1.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4544   -1.5345   -1.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3062    3.4294    0.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8257    2.4981    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095    2.1135   -0.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235   -0.4020   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9580    2.6905    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6766    1.5497    0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331    2.7827   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5976    0.4858   -0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5106    1.3523    0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5286   -0.2258    0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986    3.1227   -2.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3441    2.8479   -1.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152    0.8700   -2.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1888   -1.5531   -2.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6743   -1.5199   -2.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4544   -2.9093   -0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4528    2.4114    0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6057    4.2293   -0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3269    4.4319    1.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3405    3.9570    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6303    2.5060    1.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8793    2.1999   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5589    1.9295    1.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818    1.7257    1.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3354    1.2604    1.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6077    0.8380    1.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.3991   -1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152   -3.9500   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9605   -3.1079    0.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -2.6439   -2.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407   -2.3739   -0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980   -4.5315   -1.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8025   -5.3234    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934   -3.6391    1.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9354   -5.8547    1.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808   -5.0125    1.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651    3.3760   -1.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3781    0.3727   -1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446    2.7082   -3.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8509    4.1521   -2.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    3.1997   -3.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2159    3.7930   -0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677    2.1953   -0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199    3.0651   -2.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730    0.1808   -1.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422    0.3762   -2.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1018    1.0275   -3.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2659   -1.7079   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0951   -0.6032   -2.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466   -2.3567   -2.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7014   -0.6175   -2.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6285   -1.6399   -1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6144   -2.3658   -2.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3015   -2.9780    0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5425   -3.0935    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5478   -3.7355   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4479    1.6646   -0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.8719    1.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4295    2.9092    0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8588    5.0116   -0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6565    3.5810   -1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5767    4.7348   -0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2329    3.9348    2.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5045    5.1524    1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655    4.9981    1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7714    4.0135   -0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6929    4.3254    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1857    4.6507    0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0165    2.8365    2.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0039    1.5024    2.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4919    3.1812    1.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3445    1.2164   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4313    2.2446   -1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6899    2.9389   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1811    1.8435    2.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7197    2.5439    2.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679    0.6946    2.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559    0.9953    2.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5007   -1.7778   -1.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699   -3.3061   -2.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092   -2.2904   -2.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2453   -2.8080    0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567   -1.4490   -0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5172   -2.0856   -1.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9770   -5.2576   -2.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2288   -5.0531   -0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -4.1096   -2.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317   -6.0437   -0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920   -3.0297    2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242   -6.9240    1.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5949   -5.4269    2.6160 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 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 36  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 27 75  1  0  0  0  0
 28 76  1  0  0  0  0
 28 77  1  0  0  0  0
 28 78  1  0  0  0  0
 29 79  1  0  0  0  0
 29 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 32  2  0  0  0  0
 30 82  1  0  0  0  0
 31 33  2  0  0  0  0
 31 83  1  0  0  0  0
 32 84  1  0  0  0  0
 33 85  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  2  0  0  0  0
 36 41  2  0  0  0  0
 37 86  1  0  0  0  0
 37 87  1  0  0  0  0
 37 88  1  0  0  0  0
 38 89  1  0  0  0  0
 38 90  1  0  0  0  0
 38 91  1  0  0  0  0
 39 92  1  0  0  0  0
 39 93  1  0  0  0  0
 39 94  1  0  0  0  0
 40 42  1  0  0  0  0
 40 95  1  0  0  0  0
 41 43  1  0  0  0  0
 41 96  1  0  0  0  0
 42 43  2  0  0  0  0
 42 97  1  0  0  0  0
 43 98  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 2898👍, 0💬