Molecule FYI-1005784

A

Molecule Summary:

ID: FYI-1005784
Names:
InChIKey: OJUZRFGUKHQNJX-UHFFFAOYSA-N
SMILES: Cc3ccc(OP(=O)(Oc1ccccc1)Oc2ccccc2)cc3

Received at FYIcenter.com on: 2023-11-14

Molecule ID: FYI-1005784 Edit

Molecule Structure InChIKey: OJUZRFGUKHQNJX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(OP(=O)(Oc1ccccc1)Oc2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005784
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   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
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  6 18  1  0  0  0  0
  6 14  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  8 23  1  0  0  0  0
  8 19  2  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005784-3D
FYIcenter.com

 41 43  0     0  0  0  0  0  0999 V2000
    0.2783   -0.0005    0.2889 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8917   -0.8748   -0.4146 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -0.5759   -0.3899 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1124    1.4503   -0.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2631   -0.0007    1.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -0.6666   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9662   -0.2384    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    0.3682    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -1.4873   -0.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0512    0.5822    0.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5121   -1.2732   -0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168   -1.8423   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9623    2.5079   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4299   -0.0095    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338   -2.7386    0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673    2.3717    0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2926   -2.2224   -0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    3.7105   -0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322   -4.0289    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330    3.4500    0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7909   -3.5128   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5795    4.7888   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106   -4.4162    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891    4.6585    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    1.0327    1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7946   -2.2945   -1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3933    1.3928    1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2152   -1.9181   -1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9899   -0.9464    0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6536    0.4012    1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7909    0.6907   -0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5145   -2.4849    1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991    1.4534    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8255   -1.5219   -1.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1495    3.8163   -1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028   -4.7329    1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7974    3.3490    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7086   -3.8144   -1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    5.7299   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986   -5.4210    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3632    5.4980    0.2804 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 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 34  1  0  0  0  0
 18 22  2  0  0  0  0
 18 35  1  0  0  0  0
 19 23  2  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 2182👍, 0💬