Molecule FYI-1001715

Home > Molecule

A

Molecule Summary:

ID: FYI-1001715
SMILES: CCCCC1(Cc2cc(OCCCC3OC(=O)NC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001715 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3OC(=O)NC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001715
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   12.6013   11.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033   10.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    9.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    6.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2051    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    5.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815    2.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0499    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.9067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962    1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    0.6475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4714    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    0.9317    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3448    2.3357    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    4.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1723    5.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4579    4.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0033    6.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8117    5.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1240    5.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1975    7.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8868    7.6811    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  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  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21  9  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25  7  1  0  0  0  0
 26 25  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  2  0  0  0  0
 28  5  1  0  0  0  0
 29 28  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
 32 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001715-3D
FYIcenter.com

 61 64  0  0  1  0  0  0  0  0999 V2000
    0.9354   -0.3912   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -0.1961   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9159    0.6636    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4373    0.8431    1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0100    1.6755    2.1984 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5519    1.8359    1.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6769    3.1012    1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7854    3.5580    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7342    4.7963   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9154    5.0687   -0.8527 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    6.4288   -1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8075    6.5490   -1.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3718    5.7444   -2.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8798    5.9195   -2.5133 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2056    7.2945   -2.7771 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8059    7.3844   -3.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1713    8.4284   -4.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9261    6.1666   -4.5450 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3938    5.2224   -3.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3261    4.0309   -3.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5325    5.5509   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362    6.9966   -1.1336 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4200    5.0918    0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9372    5.9863    0.6195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    3.8763    1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5405    3.1236    2.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911    3.5946    2.4223 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5544    1.1233    3.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3194    1.6093    4.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0808    0.5586    5.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3947   -0.6182    5.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938   -0.4002    3.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805   -0.9828   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184    0.5737   -0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6559   -0.9139    0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.2823   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9352   -1.1756   -0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    0.1931    1.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    1.6408    0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7187    1.3171    0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184   -0.1431    0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860    0.9780    1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    1.9989    2.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6978    2.9647    0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9640    7.0674   -0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8463    6.7688   -2.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2716    6.1996   -0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0602    7.6094   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8740    6.0723   -3.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1404    4.6804   -2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    5.5851   -1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3239    5.9979   -5.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    1.4294    3.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844    2.6012    5.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3974    1.6659    4.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4680    0.9541    6.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0367    0.2438    6.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256   -0.6106    5.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7993   -1.5811    5.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7997   -0.9146    3.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5529   -0.8095    3.4184 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 26  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  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 19  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-02, 1844👍, 0💬