Molecule FYI-1004439

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A

Molecule Summary:

ID: FYI-1004439
Names:
InChIKey: XZZNDPSIHUTMOC-UHFFFAOYSA-N
SMILES: O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004439 Edit

Molecule Structure InChIKey: XZZNDPSIHUTMOC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004439
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    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
    3.6373    7.0000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004439-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    0.0024    0.0004   -0.2987 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0165    1.0554    0.3924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4210    0.3487    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058   -1.4025    0.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026    0.0003   -1.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3668    1.0678    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1115    1.5180    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -2.5852    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9762    0.1199   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5927    2.5123   -0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822   -2.6332   -0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417    2.0291    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271    1.7021    0.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -3.7299    0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3602    0.1332   -0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    3.7037   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0615   -3.8390   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5257    2.0423    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    2.8935    0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920   -4.9357    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1349    1.0944   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5162    3.8944   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -4.9901   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171   -0.6468   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6497    2.4113   -1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666   -1.7661   -1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6725    2.7701    1.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    0.9252    1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631   -3.6919    1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8352   -0.6049   -1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962    4.4836   -1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   -3.8820   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1291    2.7907    1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9806    3.0420    1.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -5.8321    1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2125    1.1046   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0645    4.8221   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   -5.9288   -0.2577 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  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  2  0  0  0  0
 12 27  1  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 20  2  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 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  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
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1316👍, 0💬