Molecule FYI-1006618

A

Molecule Summary:

ID: FYI-1006618
Names:
InChIKey: JELQNFAUSQUEGV-UHFFFAOYSA-N
SMILES: O=P(OCc1ccccc1)(Oc2ccccc2)Oc3ccccc3

Received at FYIcenter.com on: 2024-01-05

Molecule ID: FYI-1006618 Edit

Molecule Structure InChIKey: JELQNFAUSQUEGV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=P(OCc1ccccc1)(Oc2ccccc2)Oc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006618
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.9000    0.0000 P   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
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    7.2746    6.3000    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
    7.2747    9.1000    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
    6.0621    2.8000    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2142    3.5954    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  6 17  1  0  0  0  0
  6 13  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
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006618-3D
FYIcenter.com

 41 43  0     0  0  0  0  0  0999 V2000
   -0.0011    1.4525   -0.3204 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -0.1611   -0.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601    1.7950    0.6345 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577    1.7968    0.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017    2.1838   -1.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -0.9647    0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -2.4211    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2057   -3.1032    0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102   -3.1013    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5736    1.5891    0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714    1.5927    0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048   -4.4654   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112   -4.4634   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -5.1454   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8983    1.0457   -0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    1.0497   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    1.9262    1.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    1.9293    1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2365    0.8369   -1.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350    0.8410   -1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9096    1.7172    0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9072    1.7207    0.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2420    1.1726   -0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401    1.1764   -0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -0.7164    1.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8771   -0.7176    1.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537   -2.5836    0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575   -2.5803    0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450   -4.9963   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1521   -4.9928   -0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044   -6.2059   -0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1527    0.7647   -1.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1513    0.7688   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3168    2.3505    2.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138    2.3528    2.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960    0.4116   -2.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4949    0.4159   -2.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6926    1.9784    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6899    1.9816    1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2839    1.0096   -0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2821    1.0135   -0.6177 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 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  2  0  0  0  0
  9 28  1  0  0  0  0
 10 15  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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

2024-01-15, 1872👍, 0💬