Molecule Editor

Molecule ID: FYI-1015918 Edit

Molecule Structure InChIKey: PJARAVXVTPYEIT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN(CCC(=O)O)CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015918
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015918-3D
FYIcenter.com

 43 42  0  0  0  0  0  0  0  0999 V2000
    5.2825    3.3668    0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    2.2971   -0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1076    1.2536   -0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375    0.2159   -2.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8004   -0.7110   -2.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026   -2.0005   -1.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -2.3474   -0.9823 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8985   -2.9165   -3.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4001   -2.8566   -3.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8893   -3.7182   -4.4715 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2591   -3.3126   -5.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992   -4.2205   -6.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8780   -3.7718   -8.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0969   -2.8348   -8.2649 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1926   -4.5272   -9.2769 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3695   -3.6069   -4.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1404   -4.1191   -3.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267   -4.0173   -3.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1496   -3.5931   -4.6135 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3488   -4.4446   -2.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4624    4.0920    0.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2036    3.9066   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3841    2.9297    1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    2.7777   -1.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456    1.8036   -0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2676    0.7646   -0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0591    1.7311   -1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5585    0.7155   -2.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052   -0.2942   -1.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3014   -2.5986   -3.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940   -3.9374   -2.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8717   -3.1795   -2.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7189   -1.8202   -3.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5143   -2.2708   -5.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697   -3.3533   -5.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2966   -5.2507   -6.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6674   -4.1911   -7.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8337   -5.2387   -9.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6552   -2.5686   -4.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7164   -4.2100   -5.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8911   -5.1696   -3.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183   -3.5248   -2.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8087   -4.7538   -1.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  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
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$