Molecule FYI-1000982

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A

Molecule Summary:

ID: FYI-1000982
SMILES: CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CO[P](O)(=O)O[P](O)(O)=O

Received at FYIcenter.com on: 2021-08-26

Molecule ID: FYI-1000982 Edit

Molecule Structure SMILES String: CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000982
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   18.3742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1618    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000982-3D
FYIcenter.com

 52 51  0  0  0  0  0  0  0  0999 V2000
    0.7299    2.5416    4.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    2.6528    4.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    3.7906    5.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037    1.7588    4.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5054    1.6922    4.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    2.4437    2.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7582    2.4827    3.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4739    1.7315    4.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4631    3.1934    2.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9764    3.2166    1.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    4.3579    2.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260    4.2763    2.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060    3.0806    3.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0153    5.2924    2.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125    5.5794    2.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4463    4.5117    2.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4387    4.5524    1.0500 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.1881    3.0690    0.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1102    5.5483   -0.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0594    4.4726    1.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6286    4.0788   -0.1495 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.8341    5.1303    0.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3744    2.8003    0.5643 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1380    3.7264   -1.5685 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438    3.3752    5.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    1.6193    5.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    2.5404    3.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278    4.4420    5.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490    4.4136    4.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3924    3.4187    6.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    0.9644    3.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7852    0.6295    4.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331    2.0728    5.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    3.4780    2.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9399    1.9850    1.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8207    1.2556    4.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133    2.4195    4.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0997    0.9345    3.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9099    3.7421    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2020    3.2996    0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3805    2.2479    2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3397    4.3672    3.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3617    5.3168    2.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0132    2.4739    3.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4669    3.4002    4.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3538    2.4534    2.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4972    6.1400    1.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6487    5.9729    3.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7666    6.4035    1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4093    3.0619   -0.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3722    4.7189    0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8152    2.0040    0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  3  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  3  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 50  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END
$$$$

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