Molecule FYI-1003184

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A

Molecule Summary:

ID: FYI-1003184
Names:
InChIKey: QJCZUCPLEDQMNM-UHFFFAOYSA-N
SMILES: C2CC1CC13COC2C3

Received at FYIcenter.com on: 2023-05-19

Molecule ID: FYI-1003184 Edit

Molecule Structure InChIKey: QJCZUCPLEDQMNM-UHFFFAOYSA-N

Molecule Structure SMILES String: C2CC1CC13COC2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003184
FYIcenter.com

  9 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    0.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859    2.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456    2.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    1.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309    0.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    0.3789    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  3  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
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003184-3D
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    2.4718   -0.0760   -2.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -0.2111   -2.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6118   -1.2854   -2.1869 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9230   -1.4300   -1.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7577   -0.8982   -0.6986 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8183    0.5559   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4429    0.9654   -0.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1642   -0.5223 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4858   -1.3856   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991   -0.8814   -2.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068    0.8780   -2.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526    0.7433   -2.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6068   -0.4828   -3.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855   -2.2504   -2.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7235   -0.7540   -1.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2710   -2.4281   -1.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3202    1.2229   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3111    0.6459    0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6675   -0.1269   -0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0964   -2.3341   -0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797   -1.4441    0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
M  END
$$$$

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2023-06-12, 1517👍, 0💬