Molecule FYI-1006617

A

Molecule Summary:

ID: FYI-1006617
Names:
InChIKey: XMNDMAQKWSQVOV-UHFFFAOYSA-N
SMILES: Cc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3

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

Molecule ID: FYI-1006617 Edit

Molecule Structure InChIKey: XMNDMAQKWSQVOV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006617
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
    6.0621    2.8000    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
    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
    8.4870    2.8000    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
  2  7  1  0  0  0  0
  4  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
  8 13  1  0  0  0  0
  8  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
  7 23  1  0  0  0  0
  7 19  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006617-3D
FYIcenter.com

 41 43  0     0  0  0  0  0  0999 V2000
    0.1816   -0.0014    0.3617 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.1099   -0.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -1.2057   -0.3657 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    1.3173   -0.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439   -0.0029    1.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722   -1.1425   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4362   -1.1406   -0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820   -2.2094    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3099   -2.2054   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.0076   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218   -1.4398   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245    2.5925   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557   -3.2743    0.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9198   -3.2724    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028   -0.6043    0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385    2.8210    0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -2.5114   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251    3.6499   -0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4722   -0.8430    0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2057    4.1209    0.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2650   -2.7501   -0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577    4.9497   -0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0533   -1.9159   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076    5.1853    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117   -2.2609    1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2980   -2.2195   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8510    0.9322   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2085    0.0800   -2.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8902   -0.1461   -1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523   -4.1057    1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5998   -4.1017    0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978    0.2419    1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363    2.0275    1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2853   -3.1637   -1.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7553    3.4710   -1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0866   -0.1934    1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0357    4.3047    1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7174   -3.5856   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9235    5.7785   -1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1194   -2.1017    0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9716    6.1973    0.3746 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 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  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, 1127👍, 0💬