Molecule FYI-1014325

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A

Molecule Summary:

ID: FYI-1014325
Names:
InChIKey: BZVXYRVHJHDNIQ-UHFFFAOYSA-N
SMILES: C3=C1CSCC2=CCC(=C12)C3

Received at FYIcenter.com on: 2025-04-01

Molecule ID: FYI-1014325 Edit

Molecule Structure InChIKey: BZVXYRVHJHDNIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: C3=C1CSCC2=CCC(=C12)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014325
FYIcenter.com

 11 13  0  0  0  0  0  0  0  0999 V2000
    1.8633    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959    3.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    3.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6959    3.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5071    0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  1  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014325-3D
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.1691   -0.5749   -0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3284    0.4850   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4886    1.9595   -1.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    2.8820   -0.4639 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338    1.9974   -1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7191    0.5252   -1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -0.4983   -1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893   -1.8344   -1.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.3665   -1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0181   -0.0353   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3808   -1.8785   -1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2438   -0.5187   -0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6020    2.2051   -2.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3833    2.3013   -0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955    2.2383   -2.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6821    2.3835   -0.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7642   -0.4068   -1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303   -2.2748   -2.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777   -2.5312   -0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6682   -2.3374   -2.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -2.5817   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2025-04-11, 155👍, 0💬