Molecule FYI-1011639

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A

Molecule Summary:

ID: FYI-1011639
Names:
InChIKey: KXSDPILWMGFJMM-UHFFFAOYSA-N
SMILES: CC(C)C12CCC(C)(O)C1C2

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011639 Edit

Molecule Structure InChIKey: KXSDPILWMGFJMM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C12CCC(C)(O)C1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011639
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    5.9716    1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591    2.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591    4.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    3.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    0.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 O   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  2  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
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011639-3D
FYIcenter.com

 29 30  0     1  0  0  0  0  0999 V2000
   -1.7704    1.6051    0.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722   -0.4385   -0.0019 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5224   -0.3002    0.8833 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1120   -1.6543    0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6744    0.1890    0.0404 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2735   -0.0572   -1.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    0.0733    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628   -0.1368   -1.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9992   -0.4420    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524   -0.4520   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    1.6135    0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    0.1603    1.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510   -2.0794    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087   -2.3955    0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7013   -0.7364   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5726    0.9617   -1.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1672   -0.2651    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908    0.5549   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -1.1560   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8151   -0.0562   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -1.5326    0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2492   -0.1997    1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -0.0900   -1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1137   -0.1285    0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458   -1.5469   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270    2.0471   -0.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474    1.9556    0.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    2.0270    1.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192    1.7945    1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  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 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  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
 11 28  1  0  0  0  0
M  END
$$$$

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