Molecule FYI-1003626

A

Molecule Summary:

ID: FYI-1003626
Names:
InChIKey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N
SMILES: Cc3ccc(OP(=O)(Oc1ccc(C)cc1)Oc2ccc(C)cc2)cc3

Received at FYIcenter.com on: 2023-07-13

Molecule ID: FYI-1003626 Edit

Molecule Structure InChIKey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(OP(=O)(Oc1ccc(C)cc1)Oc2ccc(C)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003626
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    3.6373    2.8000    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  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  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 20 19  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  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003626-3D
FYIcenter.com

 47 49  0     0  0  0  0  0  0999 V2000
    0.0025    0.0003   -0.2635 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9718    1.0966    0.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343    0.2899    0.4296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4633   -1.3844    0.4291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    0.0002   -1.7666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206    1.1648    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725    1.4295    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1543   -2.5937    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0855    1.3033   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722    3.7473   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113   -5.0516   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9679    0.2425   -0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947    2.4442   -0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   -2.6874   -0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559    2.1564    0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3943    1.5645    0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402   -3.7191    0.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3504    0.3119   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    3.6061   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024   -3.9197   -0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4383    2.2256    0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1460    2.7265    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899   -4.9515    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5632    1.3773   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    4.9895   -0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850   -6.3689   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4404   -0.5463   -1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7486    2.3812   -1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.8367   -1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569    2.8772    1.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    0.7716    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -3.6452    1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8440   -0.4134   -1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    4.3941   -1.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767   -3.9850   -1.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0004    3.0016    1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004    2.8239    1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1011   -5.8259    1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9209    2.4091   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8561    1.0170   -1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0673    0.7686    0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    4.8754   -1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8294    5.8556   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0705    5.2127    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -7.1940   -0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443   -6.4421   -1.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8634   -6.5026    0.4859 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  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6 12  2  0  0  0  0
  6 15  1  0  0  0  0
  7 13  2  0  0  0  0
  7 16  1  0  0  0  0
  8 14  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  2  0  0  0  0
  9 21  1  0  0  0  0
  9 24  1  0  0  0  0
 10 19  2  0  0  0  0
 10 22  1  0  0  0  0
 10 25  1  0  0  0  0
 11 20  2  0  0  0  0
 11 23  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 13 19  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 23  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 989👍, 0💬