Molecule FYI-1011437

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A

Molecule Summary:

ID: FYI-1011437
Names:
InChIKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N
SMILES: CC1(C)C2CCC1(C)C(O)C2

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

Molecule ID: FYI-1011437 Edit

Molecule Structure InChIKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)C2CCC1(C)C(O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011437
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.6175    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    2.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    1.6279    0.0000 C   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  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
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011437-3D
FYIcenter.com

 29 30  0     1  0  0  0  0  0999 V2000
   -2.5806   -0.3364   -0.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716   -0.6919    0.3214 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1070   -0.0345   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251    1.3596   -0.3061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2656   -0.3099   -0.7211 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4204    0.1536    1.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687    1.1229   -1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181    1.5703    1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1078   -2.1805    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5325   -0.5519   -1.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682   -0.1013    0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353    2.1787   -0.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515   -0.9705   -1.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2008   -0.1795    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585    0.1188    1.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6465    1.8618   -0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6577    1.1760   -2.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514    2.2753    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018    1.9535    1.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984   -2.4169    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0446   -2.5364    1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676   -2.7545   -0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3314    0.0764   -2.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9179   -1.5754   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -0.5679   -2.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    0.5421    0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155    0.2121    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7608   -1.1239    0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7645   -1.2482    0.0885 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  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  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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2024-08-14, 1269👍, 0💬