Molecule FYI-1008266

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Molecule Summary:

ID: FYI-1008266
Names:
InChIKey: HNDCAEWKUDKBLV-UHFFFAOYSA-N
SMILES: O=C1CCOCCOC(=O)c2ccc1cc2

Received at FYIcenter.com on: 2024-04-26

Molecule ID: FYI-1008266 Edit

Molecule Structure InChIKey: HNDCAEWKUDKBLV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCOCCOC(=O)c2ccc1cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008266
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6496    0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4525    6.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741    0.6782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008266-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
   -0.2999    3.8884   -0.9883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920    4.3021   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4440    5.6441    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057    6.9144   -0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040    7.6996   -0.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373    7.6965   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3006    6.3370   -1.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826    6.1388   -1.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    4.9151   -1.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187    4.6720   -2.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536    3.8543   -1.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5819    3.0866   -1.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    2.9138   -1.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993    3.5524   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849    3.8991    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016    4.0446    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    5.7257    1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649    5.5849    0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790    7.5796   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    6.7319   -1.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3847    8.4787   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296    7.9464   -2.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    5.6573   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337    6.1453   -0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    2.8301   -2.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5275    2.5042   -2.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6224    4.2901    1.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.6133    0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 564👍, 0💬