Molecule FYI-1010166

A

Molecule Summary:

ID: FYI-1010166
Names:
InChIKey: YRZQCIDLWXTCTJ-GHRAFVERSA-N
SMILES: CCCCCCCCCCCCCCCOP2(=O)OC[C@@H]1COC(=O)C1=C(CCCC)O2

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010166 Edit

Molecule Structure InChIKey: YRZQCIDLWXTCTJ-GHRAFVERSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCOP2(=O)OC[C@@H]1COC(=O)C1=C(CCCC)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010166
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
   23.9208    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7084    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4960    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2834    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0710    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8586    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6462    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4337    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2213    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0089    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5839    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3715    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1591    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342    6.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5217    5.6471    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.7595    4.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651    6.4357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272    6.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156    4.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    4.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    2.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    1.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6001    3.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263    4.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0127    1.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3777    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7903    0.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1552    0.0000    0.0000 C   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  3  1  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  8  1  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 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  1  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  1  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 17  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010166-3D
FYIcenter.com

 77 78  0  0  1  0  0  0  0  0999 V2000
   15.9762   -7.7230    4.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1889   -6.5682    3.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4456   -5.2756    4.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6532   -4.1178    3.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9101   -2.8245    4.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1170   -1.6738    3.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3717   -0.3801    4.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5711    0.7680    4.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8312    2.0546    4.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0336    3.2236    4.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3459    4.4790    5.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5965    5.7037    4.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9525    6.9614    5.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4306    7.3644    5.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9189    7.6416    3.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2525    8.1274    3.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9194    8.3371    2.4950 P   0  0  3  0  0  0  0  0  0  0  0  0
   16.0101    8.9982    1.5068 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2511    9.1843    2.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5386    8.6126    2.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7240    7.5534    3.7544 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.1651    7.3194    4.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2994    5.9274    4.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2695    5.2234    3.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2547    4.0133    3.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2540    6.1888    3.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1122    5.8861    2.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4613    4.5195    2.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9415    4.0504    1.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0471    3.6972    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4455    3.2278   -0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3584    6.8477    2.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7814   -8.6429    3.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6934   -7.8915    5.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0516   -7.5219    4.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1196   -6.8093    3.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4722   -6.4391    2.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5164   -5.0394    4.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1643   -5.4079    5.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5817   -4.3511    3.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9324   -3.9838    2.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9830   -2.5881    4.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6323   -2.9559    5.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0461   -1.9100    3.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3960   -1.5427    2.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4423   -0.1395    4.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0920   -0.5073    5.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5012    0.5293    4.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8504    0.9017    3.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9029    2.2897    4.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5678    1.9121    5.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9600    3.0034    4.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2997    3.3778    3.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4263    4.6514    5.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0887    4.3136    6.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5164    5.5279    4.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8021    5.8570    3.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6602    6.8108    6.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3451    7.7942    5.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0627    6.5978    5.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5760    8.2595    5.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2812    8.3934    3.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8915    6.7286    3.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2525    9.4300    2.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6869    8.2327    1.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1724    7.8446    4.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4185    7.8777    5.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8824    7.5972    3.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5875    4.5911    3.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0787    3.7336    3.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    4.8075    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3192    3.1607    1.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6770    2.9018    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6925    4.5628    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7979    2.3576   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2333    2.9467   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8448    4.0216   -1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  0  0  0  0
 12 56  1  0  0  0  0
 12 57  1  0  0  0  0
 13 14  1  0  0  0  0
 13 58  1  0  0  0  0
 13 59  1  0  0  0  0
 14 15  1  0  0  0  0
 14 60  1  0  0  0  0
 14 61  1  0  0  0  0
 15 16  1  0  0  0  0
 15 62  1  0  0  0  0
 15 63  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 66  1  1  0  0  0
 22 23  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 30  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 31  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1605👍, 0💬