Molecule FYI-1000204

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A

Molecule Summary:

ID: FYI-1000204
SMILES: CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C

Received at FYIcenter.com on: 2020-12-12

Molecule ID: FYI-1000204 Edit

Molecule Structure SMILES String: CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000204
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    6.0622    7.0000    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
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   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
    7.2746    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
    9.6995    0.7000    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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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 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
    1.2124    2.8000    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
    2.4249    4.9000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20  9  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  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 22  1  0  0  0  0
 29  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000204-3D
FYIcenter.com

 56 58  0  0  0  0  0  0  0  0999 V2000
   -4.1880    1.2094   -4.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7215    0.4390   -3.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7747    0.9640   -2.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3331    0.2267   -1.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659   -1.0512   -1.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206   -1.5739   -1.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2421   -0.8327   -3.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4152   -1.7518   -0.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040   -3.4817   -0.0300 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -3.4794   -0.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -3.5159    1.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6199   -3.8729    2.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3019   -3.3254    3.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666   -3.5596    4.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866   -4.3890    4.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4974   -5.0484    3.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -4.7823    2.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2905   -4.5487    5.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691   -2.4946    4.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3929   -5.2116   -0.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4019   -5.9615   -0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3426   -8.1690   -0.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5939   -5.4026   -1.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7203   -8.4664   -1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0193   -8.0314   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980    0.8143   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6477    2.1548   -4.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2555    1.4369   -4.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253    0.6257   -5.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2334   -4.0816    5.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -2.4653    3.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2455   -9.2519   -0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5829   -5.7604   -1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7680   -4.3392   -1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4696   -9.5312   -1.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0647   -8.2365   -2.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5391   -8.2884   -1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4482    0.1324   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330    1.0091    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
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 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
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 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$

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2021-02-04, 2104👍, 0💬