Molecule FYI-1000195

Home > Molecule

A

Molecule Summary:

ID: FYI-1000195
SMILES: c1c(ccc(c1)CCC(CC(=O)CCc1ccc(cc1)O)OC)O

Received at FYIcenter.com on: 2020-12-02

Molecule ID: FYI-1000195 Edit

Molecule Structure SMILES String: c1c(ccc(c1)CCC(CC(=O)CCc1ccc(cc1)O)OC)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000195
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22  9  1  0  0  0  0
 23 22  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000195-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
    0.3643    0.2128    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0254   -0.3752    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176   -0.8415   -0.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712   -0.7148   -0.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613   -0.1375    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0285    0.3323    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2659    0.0090    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9765   -1.3420   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5125   -1.2718   -0.1709 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.0008   -0.4074   -1.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5148   -0.2638   -1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2583   -1.2370   -1.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0500    1.1585   -1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5736    1.1914   -1.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1081    2.5992   -1.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2727    3.2054   -2.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7857    4.5021   -2.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1217    5.1952   -1.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9528    4.6161   -0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4421    3.3201   -0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6354    6.4581   -1.8685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0470   -2.6035   -0.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6654   -3.4191   -1.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -0.5178    0.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131    0.5873    2.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -1.2968   -1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6074   -1.0728   -1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346    0.7963    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4938    0.6402   -0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6283    0.5435    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232   -1.9631    0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5771   -1.8847   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9019   -0.8285    0.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6715   -0.7944   -2.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5880    0.6020   -1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6140    1.6541   -2.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7025    1.6789   -0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0115    0.6935   -0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9210    0.6170   -2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0184    2.6645   -3.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9170    4.9456   -3.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2238    5.1693    0.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3248    2.8728    0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7369    6.7105   -2.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2939   -4.3142   -1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6266   -3.7447   -1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8058   -2.9138   -2.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7349   -0.1750    0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-12-26, 1285👍, 0💬