Molecule Editor

Molecule ID: FYI-1017571 Edit

Molecule Structure InChIKey: SFZVGDOQZGEPEC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C(=O)O)CCC(c1ccccc1)C(C(=O)O)CC(C)(C(=O)O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1017571
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    4.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0818    4.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    6.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    2.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2727    5.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8139    5.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0551    6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3022    8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3452    6.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6192    8.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2324    8.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4222    6.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939    6.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0868    6.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055    5.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6609    7.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017571-3D
FYIcenter.com

 49 50  0  0  1  0  0  0  0  0999 V2000
    1.1140   -0.9311   -1.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5854   -0.5662 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8683   -1.1638    0.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444   -0.5170    1.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574   -2.4784    0.9852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869    0.9767   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350    1.6827   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    1.5720    1.0543 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5668    1.7548    2.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4578    0.8376    3.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6179    1.0875    4.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    2.2642    4.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037    3.2057    3.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8323    2.9514    2.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805    0.4885    1.0699 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4822    0.6183    2.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -0.2769    3.1268 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    1.7890    2.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1337   -0.9832    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9049   -1.5483   -0.5353 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0849   -1.2195   -1.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301   -3.0852   -0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7685   -3.6935   -0.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984   -3.7355   -0.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933   -1.1362   -1.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926   -0.4499   -1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -2.0136   -1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -0.6046   -2.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991   -3.0176    0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533    1.3735    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301    1.3542   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276    2.7521   -0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4275    1.4448   -1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0499    2.5068    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9885   -0.1088    3.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5237    0.3470    5.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    2.4452    5.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4390    4.1311    3.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8983    3.7076    1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2669    0.7132    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2743   -1.2041    1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0553   -1.3722   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   -0.1782   -1.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   -1.8511   -2.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8023   -3.1904   -0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810   -1.9928   -1.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   -0.4047   -2.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$