Molecule FYI-1012438

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A

Molecule Summary:

ID: FYI-1012438
Names:
InChIKey: FSEOKICEOTWJML-UBGVJBJISA-N
SMILES: C[C@H]1C2C[CH+][C@H]1C(C)(C)C2

Received at FYIcenter.com on: 2024-09-05

Molecule ID: FYI-1012438 Edit

Molecule Structure InChIKey: FSEOKICEOTWJML-UBGVJBJISA-N

Molecule Structure SMILES String: C[C@H]1C2C[CH+][C@H]1C(C)(C)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012438
FYIcenter.com

 10 11  0  0  1  0  0  0  0  0999 V2000
    3.3165    2.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511    1.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672    2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    1.9156    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2226    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4284    1.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    2.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  6  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  7  1  0  0  0  0
 10  7  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012438-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
    2.7542    0.1777    1.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    0.1212    0.1259 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2286    1.0808   -0.7560 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7060    0.7354   -2.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824   -0.7541   -2.0432 C   0  3  0  0  0  0  0  0  0  0  0  0
    3.1051   -1.0831   -0.5940 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6874   -1.0754   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2393   -1.0193   -0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7295   -2.6021   -0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603    0.5309   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    1.0739    2.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8173    0.2038    1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   -0.6962    2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986    0.1741   -0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    2.1386   -0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    1.1292   -2.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6743    1.0675   -2.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497   -1.4335   -2.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -1.9480   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7655   -0.0988   -0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4101   -1.1542   -1.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8355   -1.7605   -0.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8653   -3.2260   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5097   -3.1817   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8733   -2.6872   -1.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1905    0.7574   -1.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1476    1.0972    0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  1  1  0  0  0  0
  2 14  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
$$$$

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