Molecule FYI-1000320

Home > Molecule

A

Molecule Summary:

ID: FYI-1000320
SMILES: CCOC(C#N)(CO)OC(C)(C)C#N

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000320 Edit

Molecule Structure SMILES String: CCOC(C#N)(CO)OC(C)(C)C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1000320
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.2020    4.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771    4.7799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771    3.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    2.6799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    2.6799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    0.0000    0.0000 N   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  3  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000320-3D
FYIcenter.com

 28 27  0  0  1  0  0  0  0  0999 V2000
    0.9893    1.4578    1.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068    1.3857    1.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112    1.3292    0.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    1.2263    0.5694 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9606    0.0010    1.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810   -1.0155    1.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    1.0182   -0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3403   -0.1521   -1.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    2.4432    1.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5129    2.6495    1.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7011    4.0250    1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2637    1.6310    2.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    2.7706   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7177    2.8512   -1.1557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261    1.5535    3.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    0.5533    1.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202    2.3104    1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7983    0.4878    2.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    2.2667    2.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608    0.9070   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889    1.8864   -1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9094   -0.9085   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2508    4.0472    2.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2337    4.8192    1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7689    4.2761    1.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7335    1.4523    3.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2761    1.9789    2.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4058    0.6783    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  3  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  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
 10 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2508👍, 0💬