Molecule FYI-1006456

A

Molecule Summary:

ID: FYI-1006456
Names:
InChIKey: NGASABBDYZJAFR-UHFFFAOYSA-N
SMILES: Cc1cc(C(C)(C)C)ccc1OP(=O)(Oc2ccc(C(C)(C)C)cc2C)Oc3ccc(C(C)(C)C)cc3C

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

Molecule ID: FYI-1006456 Edit

Molecule Structure InChIKey: NGASABBDYZJAFR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C(C)(C)C)ccc1OP(=O)(Oc2ccc(C(C)(C)C)cc2C)Oc3ccc(C(C)(C)C)cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006456
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
   11.4243    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8243    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  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
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29  8  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  2  0  0  0  0
 31  5  1  0  0  0  0
 16 32  1  0  0  0  0
 25 33  1  0  0  0  0
 25 34  1  0  0  0  0
 25 35  1  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006456-3D
FYIcenter.com

 83 85  0     0  0  0  0  0  0999 V2000
   -0.1489    0.1801    0.1614 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5344    0.0059    0.9764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304   -0.8889    0.8773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081    1.6055    0.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598    0.0525   -1.3321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5082    2.1103   -0.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806   -6.3493   -0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5018    3.7765   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1976    1.5503   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933   -4.9076   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1238    3.1946   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7689    1.2970   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7245    3.5503   -0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5953    2.1928   -2.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8677   -6.5628   -2.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1639   -7.2067    0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -7.0204   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7839    5.1536    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    3.9565   -2.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6113    2.8148   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1573    0.3782    0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2098   -4.2521    0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607    3.9045    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0119    2.1998   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -4.2152   -0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7374    1.9554   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314   -0.1443    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273   -2.9042    0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    3.3755    0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457    0.5053    0.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9284   -2.2118    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6251    2.1364    0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859    1.6774   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1882   -2.8674    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4882    1.4262   -0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9070   -1.4001    1.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325   -2.2181    1.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001    4.1495    1.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6907    1.7702   -0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7538    0.2783   -0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8450    1.2386    0.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6802    3.5525    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9631    4.2494   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7000    3.9519   -0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5689    2.5775   -2.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8301    2.8559   -2.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4570    1.2028   -2.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -7.6184   -2.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596   -5.9865   -2.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -6.2476   -2.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721   -6.9088    0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -7.1005    1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470   -8.2704    0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598   -6.5345   -0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619   -6.9895    0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -8.0764   -0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610    5.9112   -0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7770    5.5220   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7689    5.1036    1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    4.6118   -2.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5334    3.0043   -2.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719    4.4035   -2.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555    1.8387   -0.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5440    2.6409    0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6065    3.2236   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0577   -0.1552    0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -4.7564    0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5266    4.8700    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0144    3.1151   -1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9907   -4.7015   -0.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3904    1.3820   -1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825    2.2126   -0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373   -2.3601   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372    0.4610   -0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3185   -1.2587    2.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9113   -1.7095    2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4704   -2.2161    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832   -1.6870    2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320   -2.9264    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266   -1.5026    0.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    3.5768    2.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    5.1042    2.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603    4.3715    1.2775 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 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 22  2  0  0  0  0
 10 25  1  0  0  0  0
 11 23  2  0  0  0  0
 11 26  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 21 27  1  0  0  0  0
 21 66  1  0  0  0  0
 22 28  1  0  0  0  0
 22 67  1  0  0  0  0
 23 29  1  0  0  0  0
 23 68  1  0  0  0  0
 24 33  2  0  0  0  0
 24 69  1  0  0  0  0
 25 34  2  0  0  0  0
 25 70  1  0  0  0  0
 26 35  2  0  0  0  0
 26 71  1  0  0  0  0
 27 30  2  0  0  0  0
 27 36  1  0  0  0  0
 28 31  2  0  0  0  0
 28 37  1  0  0  0  0
 29 32  2  0  0  0  0
 29 38  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 72  1  0  0  0  0
 34 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 81  1  0  0  0  0
 38 82  1  0  0  0  0
 38 83  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 1439👍, 0💬