Molecule Editor

Molecule ID: FYI-1014191 Edit

Molecule Structure InChIKey: FTVFSZDHKSMGIW-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014191
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    9.5121    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    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
  7  2  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
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 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014191-3D
FYIcenter.com

 51 51  0     0  0  0  0  0  0999 V2000
    6.3667    0.1813   -0.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    0.2350   -0.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3529   -0.9869    1.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2222   -0.3324    0.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1233    0.9966   -1.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.1149    0.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914    1.2377    0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9638   -1.2154   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    0.7389    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -1.1277   -0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3930   -0.3657   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1277    0.4751   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8744    2.2119    1.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5664    2.0531   -0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885   -1.9996   -1.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087   -2.0734    1.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 49  1  0  0  0  0
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 22 51  1  0  0  0  0
M  END
$$$$