Molecule FYI-1003469

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A

Molecule Summary:

ID: FYI-1003469
Names:
InChIKey: WEEGYLXZBRQIMU-UHFFFAOYSA-N
SMILES: CC12CCC(CC1)C(C)(C)O2

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003469 Edit

Molecule Structure InChIKey: WEEGYLXZBRQIMU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC12CCC(CC1)C(C)(C)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003469
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.4113    4.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831    3.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0721    2.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591    0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8004    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737    2.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693    0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411    1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5287    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003469-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
   -0.0266   -1.1890   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8182    1.1397    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -0.4308   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129   -0.3664   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588    1.4396    1.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    1.4400   -1.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    0.4485    1.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278    0.4490   -1.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555   -1.4263   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0357   -0.7526    1.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354   -0.7519   -1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7032    1.7855    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    1.3788    2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423    2.4665    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4421    2.4670   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205    1.3797   -2.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1763    0.9921    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -0.1782    2.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1319   -0.1775   -2.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    0.9926   -1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255   -0.9190   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054   -2.0809    0.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054   -2.0806   -0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293   -0.1279    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523   -1.8011    1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -0.6753    2.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9289   -0.1269   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4484   -0.6745   -2.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3524   -1.8003   -1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 2049👍, 0💬