Molecule FYI-1004673

A

Molecule Summary:

ID: FYI-1004673
Names:
InChIKey: UVJYAKBJSGRTHA-UHFFFAOYSA-N
SMILES: C=C1C(=O)OC3C1CCC2(C)OC24CC=C(C)C34

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004673 Edit

Molecule Structure InChIKey: UVJYAKBJSGRTHA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C1C(=O)OC3C1CCC2(C)OC24CC=C(C)C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004673
FYIcenter.com

 18 21  0  0  0  0  0  0  0  0999 V2000
    1.5292    5.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682    2.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343    2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    3.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    3.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4531    1.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449    0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4115    0.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    1.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7888    2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8912    1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9774    4.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5173    4.1663    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  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  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 18  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004673-3D
FYIcenter.com

 36 39  0     1  0  0  0  0  0999 V2000
   -1.6319   -1.8488    0.7989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715    1.0399   -0.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    0.8804   -2.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185   -0.6890   -0.0261 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5582   -1.9256   -0.1457 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0987    0.5732    0.7505 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5392   -0.4079   -0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7948   -2.1042    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3354    1.0654    0.5209 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4366    0.2942    1.2455 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1563   -1.1723    1.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1392    1.5612    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -2.8795   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160    1.0159   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.4696    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751    2.9345    0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    0.8198   -1.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666    0.3732    0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826    0.4297    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008   -1.0631   -0.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -0.5033   -2.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536   -2.0374   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8576   -3.1312    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053    2.1176    0.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    0.8179    2.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3771   -1.2127    2.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -1.5772    2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9265   -2.9700   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533   -2.5557   -2.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4989   -3.8864   -1.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7296    1.5234   -1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772    2.8956    1.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587    3.4433    0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4014    3.5441    0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    0.1271    1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5953    0.5357   -0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 2725👍, 0💬