Molecule FYI-1011315

A

Molecule Summary:

ID: FYI-1011315
Names:
InChIKey: FUUAKEHRWIONKB-PPLHJXCHSA-N
SMILES: C=C/C(=C\\C=C\\CC1C(C(=O)OCCC(C)C)C(C/C=C/C=C(C=C)/OC)C1C(=O)OCCC(C)C)OC

Received at FYIcenter.com on: 2024-08-01

Molecule ID: FYI-1011315 Edit

Molecule Structure InChIKey: FUUAKEHRWIONKB-PPLHJXCHSA-N

Molecule Structure SMILES String: C=C/C(=C\C=C\CC1C(C(=O)OCCC(C)C)C(C/C=C/C=C(C=C)/OC)C1C(=O)OCCC(C)C)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1011315
FYIcenter.com

 38 38  0  0  0  0  0  0  0  0999 V2000
   17.4764    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2640    6.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    8.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    9.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    6.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4142    6.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    6.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370    6.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3270    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7270    3.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4270    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5270    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9270    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9370    7.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370    8.9893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5370    7.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8370    8.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    8.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   10.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370   11.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3370   10.2017    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  2  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 12  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 11  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011315-3D
FYIcenter.com

 86 86  0  0  1  0  0  0  0  0999 V2000
    1.6413   -3.3739    1.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -3.2248    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005   -3.2277    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554   -2.3713    1.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741   -1.2510    1.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7091   -0.6194    2.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734    0.5820    3.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7593    0.4924    5.0473 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3220    1.7263    5.8765 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2681    2.9497    5.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284    3.2864    5.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536    3.6964    7.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    5.0832    6.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547    5.9327    7.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7951    7.4301    6.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6133    7.7389    5.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9278    8.2847    7.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820    0.8023    7.1145 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3602    0.7970    8.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580   -0.2731    9.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153   -1.3759    9.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8238   -2.4085   10.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3225   -3.6530   10.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9399   -4.1844    8.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279   -4.2754    7.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.4485   11.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1157   -5.8335   10.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -0.4100    6.1227 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3052   -1.0540    5.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249   -1.6499    4.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1223   -0.9984    6.9581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439   -2.0075    7.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3804   -1.6887    6.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1036   -0.3840    6.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6269   -0.4056    7.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693   -0.1537    5.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7491   -4.2179   -0.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002   -4.2798   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227   -3.3817    2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761   -3.4857    2.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6394   -3.1467   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240   -2.4648    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498   -0.8933    1.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7343   -0.9616    2.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157    1.4646    3.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852    0.7119    3.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532    0.3648    5.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255    2.0805    5.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704    5.2280    5.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745    5.3893    7.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182    5.7618    8.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9764    5.6042    6.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8711    7.7149    7.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4843    7.4156    4.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7284    7.2443    5.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4732    8.8125    5.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8821    8.0507    7.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7206    9.3491    7.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0384    8.1242    8.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523    1.0215    7.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3051    0.6510    7.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368    1.7554    8.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828   -0.1117    9.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834   -1.5016    8.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3700   -2.1260   11.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9567   -4.5489    8.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3050   -3.9377    7.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8428   -4.6906    6.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205   -6.3086   11.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1847   -5.9981   10.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620   -6.3019   10.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7609   -1.2294    6.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -2.9722    6.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171   -2.1264    8.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0948   -1.6305    5.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0783   -2.5317    6.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4059    0.4558    6.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2871   -1.2635    8.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8070   -0.4592    8.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939    0.5050    8.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954   -0.9729    5.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7943    0.7781    5.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9110   -0.0845    4.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816   -5.0929   -1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3927   -3.3508   -1.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7727   -4.5066    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  2  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  2  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
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 47  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 53  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 21  2  0  0  0  0
 20 63  1  0  0  0  0
 21 22  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  2  0  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 29  1  0  0  0  0
 28 72  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 34  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 77  1  0  0  0  0
 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 36 81  1  0  0  0  0
 36 82  1  0  0  0  0
 36 83  1  0  0  0  0
 37 38  1  0  0  0  0
 38 84  1  0  0  0  0
 38 85  1  0  0  0  0
 38 86  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1084👍, 0💬